%chk=000212802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212802

0 1
N -1.672398 0.271460 0.472890
N 1.024479 0.828570 1.443008
N 2.930601 -0.125422 0.370437
N 2.490274 2.309929 0.261103
N 5.130497 -0.703641 -0.668657
N 5.795071 1.417331 -1.271984
C -1.053779 1.628764 0.286851
C -0.603301 -0.783863 0.421695
C -2.725240 0.016382 -0.580353
C -0.031163 1.883624 1.411516
C 0.416305 -0.530375 1.549702
C -3.821314 1.070656 -0.506007
C -3.367149 -1.348943 -0.375075
C 2.161582 0.990632 0.636786
C -4.309849 1.630858 -1.695529
C -3.595439 -2.169408 -1.489607
C -4.364255 1.471544 0.723621
C -3.754152 -1.787653 0.899837
C 4.113037 0.158363 -0.250993
C -5.332537 2.583039 -1.652453
C -4.205672 -3.416709 -1.327442
C -5.384204 2.425149 0.761703
C -4.361117 -3.035789 1.057172
C 4.537832 1.484848 -0.645993
C 3.654950 2.547187 -0.358632
C -5.870804 2.982436 -0.425536
C -4.588564 -3.852629 -0.055487
C 6.137021 0.126609 -1.270308
C 5.201645 -2.157570 -0.443411
C 6.235768 -2.505888 0.594342
C 6.934189 -3.637431 0.562443
H -0.567193 1.754527 -0.704431
H -1.857945 2.395790 0.349613
H -1.078605 -1.777471 0.580348
H -0.081552 -0.829401 -0.558537
H -2.262688 0.047743 -1.607360
H 0.425131 2.893578 1.296915
H -0.534402 1.863743 2.405915
H -0.085292 -0.580811 2.544007
H 1.205363 -1.315635 1.541752
H -3.900956 1.325068 -2.656320
H -3.305757 -1.838500 -2.484803
H -3.980197 1.037377 1.648040
H -3.573080 -1.148967 1.765858
H -5.710449 3.013389 -2.578241
H -4.384086 -4.048685 -2.195655
H -5.802620 2.733164 1.718407
H -4.660528 -3.371621 2.048524
H 3.888219 3.583389 -0.637001
H -6.666792 3.723399 -0.394123
H -5.064165 -4.823164 0.068567
H 7.048598 -0.297276 -1.668547
H 4.196014 -2.518464 -0.098307
H 5.404652 -2.662010 -1.417790
H 6.355575 -1.769056 1.392982
H 7.658685 -3.902381 1.321628
H 6.843359 -4.388883 -0.208977


%chk=000212802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212802

0 1
N -1.790333 0.192980 0.023632
N 1.004362 0.705120 0.511281
N 3.195061 -0.123298 0.182855
N 2.717551 2.300614 0.202259
N 5.587608 -0.599435 -0.188714
N 6.381578 1.557919 -0.364846
C -1.208556 1.543049 -0.217860
C -0.759698 -0.841165 -0.272444
C -3.055763 -0.045274 -0.738607
C 0.007822 1.775343 0.696552
C 0.469426 -0.661076 0.638234
C -4.079898 1.076519 -0.500779
C -3.681309 -1.401620 -0.367275
C 2.343535 0.961242 0.293443
C -4.702715 1.712543 -1.601054
C -4.360479 -2.154619 -1.355040
C -4.449523 1.464519 0.812430
C -3.646600 -1.891890 0.962705
C 4.478555 0.235050 -0.033070
C -5.680392 2.714602 -1.399771
C -5.001724 -3.370004 -1.024401
C -5.418997 2.468831 1.017356
C -4.281229 -3.108157 1.295598
C 4.984999 1.571518 -0.144876
C 4.023352 2.597349 -0.014821
C -6.042057 3.096283 -0.088343
C -4.965308 -3.851163 0.304463
C 6.697462 0.254054 -0.382807
C 5.569125 -2.075547 -0.156129
C 6.511197 -2.640996 0.888397
C 7.458492 -3.575569 0.630716
H -0.892815 1.661113 -1.285215
H -1.969116 2.311078 -0.002015
H -1.189743 -1.842238 -0.102043
H -0.433420 -0.784949 -1.341963
H -2.845109 -0.065943 -1.840166
H 0.493078 2.737496 0.475317
H -0.333090 1.778415 1.752906
H 0.167026 -0.842488 1.690851
H 1.264700 -1.372945 0.371005
H -4.419856 1.425460 -2.621760
H -4.392587 -1.786053 -2.388327
H -3.965176 0.982330 1.668294
H -3.101538 -1.318936 1.721463
H -6.153213 3.197463 -2.262471
H -5.524505 -3.940430 -1.800555
H -5.693146 2.761153 2.037522
H -4.244087 -3.477172 2.327135
H 4.287900 3.658152 -0.082490
H -6.797846 3.873426 0.071716
H -5.460021 -4.793969 0.563757
H 7.700897 -0.143192 -0.521661
H 4.521639 -2.352911 0.071230
H 5.815764 -2.478151 -1.156364
H 6.374931 -2.255146 1.908757
H 8.097509 -3.976794 1.424466
H 7.617882 -3.971587 -0.380370


%chk=000212802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212802

0 1
N -1.790333 0.192980 0.023632
N 1.004362 0.705120 0.511281
N 3.195061 -0.123298 0.182855
N 2.717551 2.300614 0.202259
N 5.587608 -0.599435 -0.188714
N 6.381578 1.557919 -0.364846
C -1.208556 1.543049 -0.217860
C -0.759698 -0.841165 -0.272444
C -3.055763 -0.045274 -0.738607
C 0.007822 1.775343 0.696552
C 0.469426 -0.661076 0.638234
C -4.079898 1.076519 -0.500779
C -3.681309 -1.401620 -0.367275
C 2.343535 0.961242 0.293443
C -4.702715 1.712543 -1.601054
C -4.360479 -2.154619 -1.355040
C -4.449523 1.464519 0.812430
C -3.646600 -1.891890 0.962705
C 4.478555 0.235050 -0.033070
C -5.680392 2.714602 -1.399771
C -5.001724 -3.370004 -1.024401
C -5.418997 2.468831 1.017356
C -4.281229 -3.108157 1.295598
C 4.984999 1.571518 -0.144876
C 4.023352 2.597349 -0.014821
C -6.042057 3.096283 -0.088343
C -4.965308 -3.851163 0.304463
C 6.697462 0.254054 -0.382807
C 5.569125 -2.075547 -0.156129
C 6.511197 -2.640996 0.888397
C 7.458492 -3.575569 0.630716
H -0.892815 1.661113 -1.285215
H -1.969116 2.311078 -0.002015
H -1.189743 -1.842238 -0.102043
H -0.433420 -0.784949 -1.341963
H -2.845109 -0.065943 -1.840166
H 0.493078 2.737496 0.475317
H -0.333090 1.778415 1.752906
H 0.167026 -0.842488 1.690851
H 1.264700 -1.372945 0.371005
H -4.419856 1.425460 -2.621760
H -4.392587 -1.786053 -2.388327
H -3.965176 0.982330 1.668294
H -3.101538 -1.318936 1.721463
H -6.153213 3.197463 -2.262471
H -5.524505 -3.940430 -1.800555
H -5.693146 2.761153 2.037522
H -4.244087 -3.477172 2.327135
H 4.287900 3.658152 -0.082490
H -6.797846 3.873426 0.071716
H -5.460021 -4.793969 0.563757
H 7.700897 -0.143192 -0.521661
H 4.521639 -2.352911 0.071230
H 5.815764 -2.478151 -1.156364
H 6.374931 -2.255146 1.908757
H 8.097509 -3.976794 1.424466
H 7.617882 -3.971587 -0.380370


