%chk=000214479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214479

0 1
N 5.481918 0.294913 -0.666520
N 2.635237 0.548687 -0.136089
C 4.954485 0.379115 0.742712
C 6.001752 1.060947 1.648796
C 3.651903 1.220281 0.738447
C 4.456500 -0.356708 -1.549558
C 6.764543 -0.484755 -0.720796
C 7.332914 0.301598 1.614238
C 3.160631 0.476632 -1.538948
C 7.826460 0.182517 0.167617
C 1.325748 1.279127 -0.082063
C 0.207957 0.337957 -0.567032
C -1.142874 0.967043 -0.440634
C -2.292390 0.275805 -0.354147
C -3.598551 0.968997 -0.241251
C -2.347749 -1.203256 -0.343511
C -4.530119 0.716282 0.782921
C -2.701198 -1.848690 0.859760
C -4.393419 -0.312043 1.878081
C -3.032910 -0.998047 2.053000
C -3.895368 1.931523 -1.227870
C -2.059137 -1.956688 -1.486060
C -5.730945 1.457801 0.801264
C -2.749690 -3.245606 0.906813
C -5.087756 2.649820 -1.198710
C -2.114025 -3.353840 -1.431203
C -6.009497 2.413416 -0.172408
C -2.454458 -3.995209 -0.237653
H 4.720659 -0.638889 1.151332
H 3.247138 1.267777 1.771038
H 3.876711 2.260574 0.418817
H 5.619496 1.120861 2.683181
H 6.163789 2.103936 1.310877
H 4.228024 -1.402727 -1.247808
H 4.860822 -0.389020 -2.583462
H 7.111654 -0.483731 -1.776939
H 6.635278 -1.547214 -0.420570
H 7.212654 -0.703104 2.061777
H 8.085201 0.825178 2.232588
H 3.356581 1.478886 -1.979182
H 2.397467 -0.021606 -2.174084
H 8.057535 1.190830 -0.231359
H 8.766726 -0.395550 0.123398
H 1.325681 2.219439 -0.673090
H 1.122781 1.566554 0.973326
H 0.382060 0.043862 -1.624058
H 0.261918 -0.616836 0.003638
H -1.153904 2.058734 -0.422809
H -4.666673 0.160871 2.846965
H -5.163773 -1.097744 1.698736
H -3.046022 -1.603127 2.981431
H -2.238046 -0.236556 2.208471
H -3.179455 2.108954 -2.030430
H -1.796452 -1.454750 -2.415166
H -6.459393 1.278154 1.591004
H -3.018662 -3.752666 1.830710
H -5.302461 3.388029 -1.967883
H -1.890763 -3.939498 -2.320325
H -6.942568 2.972464 -0.137835
H -2.493064 -5.082004 -0.195985


%chk=000214479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214479

0 1
N 5.533531 0.461077 -0.668814
N 2.648367 0.458139 -0.281433
C 4.946804 0.242259 0.685180
C 5.900704 0.777750 1.775130
C 3.574942 0.938342 0.773258
C 4.602929 -0.003170 -1.727005
C 6.867680 -0.175521 -0.812562
C 7.305669 0.146857 1.659331
C 3.244845 0.704634 -1.616697
C 7.862260 0.360956 0.233769
C 1.287552 1.023507 -0.127546
C 0.215095 0.247773 -0.935030
C -1.159762 0.848029 -0.742512
C -2.318875 0.197785 -0.404711
C -3.600597 0.978085 -0.276976
C -2.365047 -1.291216 -0.223920
C -4.573862 0.788614 0.755702
C -2.736537 -1.843056 1.034953
C -4.478180 -0.215470 1.910049
C -3.114160 -0.903183 2.164139
C -3.860998 1.963324 -1.277275
C -2.042438 -2.161000 -1.296053
C -5.742183 1.598366 0.744638
C -2.773290 -3.248827 1.192953
C -5.023649 2.756301 -1.269365
C -2.087758 -3.563391 -1.131555
C -5.979093 2.572632 -0.244191
C -2.453017 -4.111001 0.119083
H 4.782845 -0.855626 0.856224
H 3.127475 0.719839 1.761167
H 3.739817 2.045341 0.703523
H 5.462885 0.572210 2.771718
H 5.981316 1.877576 1.664223
H 4.432543 -1.108636 -1.665326
H 5.055401 0.218709 -2.712532
H 7.236857 0.031793 -1.835305
H 6.794225 -1.291619 -0.705926
H 7.241018 -0.941152 1.868575
H 7.987817 0.581600 2.414431
H 3.387214 1.800857 -1.801068
H 2.571468 0.310688 -2.398864
H 8.022182 1.442068 0.056101
H 8.837482 -0.148783 0.112268
H 1.254229 2.108493 -0.413948
H 1.020717 0.968561 0.945192
H 0.477761 0.284058 -2.013640
H 0.241631 -0.814124 -0.637007
H -1.207302 1.943786 -0.847368
H -4.783330 0.308937 2.837549
H -5.237537 -1.008167 1.745305
H -3.179347 -1.464232 3.114995
H -2.334409 -0.127393 2.294712
H -3.139666 2.076539 -2.093916
H -1.770142 -1.729672 -2.266118
H -6.480477 1.456290 1.544860
H -3.050944 -3.670255 2.167169
H -5.189482 3.496234 -2.060269
H -1.840823 -4.221730 -1.971933
H -6.894286 3.174544 -0.218851
H -2.487168 -5.197631 0.257021


