%chk=000218022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218022

0 1
O 5.505793 0.383664 -0.195239
O 5.053830 2.620729 -0.067075
O -1.645099 -5.410125 -0.209954
N 1.009652 0.389606 -0.572293
N 3.700533 1.202783 -1.351284
C -0.126809 0.026578 0.358475
C 1.487567 1.791670 -0.318794
C 2.164862 -0.560145 -0.428643
C 2.558857 2.163889 -1.362293
C 3.243974 -0.210141 -1.473046
C -1.339036 0.939010 0.048525
C -0.517569 -1.425787 0.153741
C -2.482324 0.716531 1.047753
C 4.750886 1.512676 -0.464223
C -0.828213 -1.910890 -1.123526
C -0.593606 -2.290103 1.261205
C -3.637312 1.630878 0.740240
C -1.212469 -3.241473 -1.313510
C -0.975690 -3.616853 1.100885
C -1.283750 -4.080542 -0.195144
C -3.733303 2.884996 1.362636
C -4.623174 1.237441 -0.178249
C -4.805640 3.732366 1.071030
C -5.692931 2.088558 -0.466311
C 6.757235 0.591461 0.535796
C -5.787447 3.337027 0.157196
C 6.469869 0.809630 2.006452
C -1.990903 -6.003244 -1.484469
H 0.172845 0.182124 1.429998
H 0.620186 2.483812 -0.425606
H 1.888835 1.935982 0.707695
H 2.604048 -0.559058 0.591773
H 1.803358 -1.595047 -0.620715
H 2.125411 2.139705 -2.388822
H 2.937021 3.196012 -1.180647
H 4.114417 -0.897422 -1.376960
H 2.834343 -0.330499 -2.503073
H -1.031336 2.005192 0.064272
H -1.693568 0.754906 -0.985394
H -2.124187 0.877441 2.084130
H -2.810409 -0.344730 1.016082
H -0.758057 -1.239782 -1.983186
H -0.353161 -1.920999 2.258431
H -1.447359 -3.599412 -2.309586
H -1.042554 -4.299988 1.944097
H -2.972947 3.199845 2.073670
H -4.553729 0.267718 -0.667169
H -4.876137 4.703623 1.557769
H -6.455541 1.778118 -1.178554
H 7.271611 -0.364262 0.326127
H 7.296026 1.440159 0.077780
H -6.621463 3.997547 -0.067747
H 7.392856 0.832912 2.596944
H 5.827172 0.020792 2.415440
H 5.951545 1.768765 2.166034
H -2.865038 -5.503926 -1.911843
H -1.132690 -5.976622 -2.161779
H -2.230483 -7.034596 -1.193742


%chk=000218022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218022

0 1
O 5.875540 0.486653 -0.221069
O 5.258847 2.727142 -0.614208
O -2.001787 -5.546071 -0.451064
N 0.953411 0.212629 -0.237769
N 3.687627 0.987585 -0.737215
C -0.299488 -0.109307 0.524869
C 1.352135 1.645725 -0.218573
C 2.090724 -0.629052 0.229374
C 2.578238 1.877403 -1.122786
C 3.330044 -0.441413 -0.663836
C -1.455720 0.869918 0.171389
C -0.711672 -1.558118 0.246089
C -2.791717 0.524136 0.885571
C 4.947691 1.505020 -0.533729
C -0.801103 -2.034707 -1.083186
C -1.056132 -2.442137 1.299994
C -3.852768 1.586000 0.635048
C -1.224192 -3.352342 -1.366552
C -1.482095 -3.758875 1.040212
C -1.569439 -4.218244 -0.297338
C -3.960506 2.719601 1.482307
C -4.734793 1.487346 -0.472169
C -4.919117 3.727191 1.231962
C -5.695436 2.492186 -0.728058
C 7.255597 0.961439 0.075105
C -5.790681 3.617406 0.123522
C 7.393543 1.378937 1.542225
C -2.100960 -6.070575 -1.814634
H -0.114022 -0.010965 1.628658
H 0.529241 2.265502 -0.609108
H 1.589597 1.994434 0.819041
H 2.361933 -0.382184 1.287821
H 1.783775 -1.688296 0.197301
H 2.292595 1.670280 -2.174452
H 2.928655 2.919429 -1.048397
H 4.184753 -1.006551 -0.265624
H 3.098861 -0.813334 -1.683154
H -1.181219 1.900471 0.464122
H -1.608637 0.869580 -0.925700
H -2.599173 0.433314 1.973547
H -3.147773 -0.463164 0.539956
H -0.509527 -1.365397 -1.900432
H -0.986529 -2.097732 2.339381
H -1.276908 -3.690066 -2.406235
H -1.746507 -4.445923 1.849793
H -3.292801 2.808464 2.349080
H -4.671447 0.612968 -1.132355
H -4.990214 4.592723 1.900839
H -6.371055 2.396000 -1.585885
H 7.885647 0.089924 -0.167693
H 7.491644 1.802262 -0.600382
H -6.537063 4.395799 -0.071290
H 8.443790 1.651577 1.757974
H 7.105254 0.553869 2.216889
H 6.759125 2.255924 1.753839
H -2.831222 -5.494926 -2.416489
H -1.116455 -6.064216 -2.322188
H -2.451310 -7.106745 -1.699039


