%chk=000187964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187964

1 1
N -1.219873 -1.534233 -0.000082
N -1.639830 0.941643 0.000245
C -0.852048 -0.199468 0.000303
C 0.607074 -0.086816 0.000332
C 1.110896 -1.447963 0.000244
C -0.020313 -2.325631 0.000098
C 1.214117 1.157605 0.000319
C -1.004681 2.187484 0.000254
C 0.367402 2.301629 0.000282
C 2.402966 -1.983501 0.000218
C -2.582550 -2.078881 0.001068
C 0.121975 -3.716027 -0.000100
C -3.101757 0.898266 0.000218
C 2.682252 1.322244 0.000356
C 2.544542 -3.369749 0.000042
C 1.422019 -4.221418 -0.000120
C -3.781071 0.895382 -1.226147
C -3.781143 0.896058 1.226545
C 3.373886 1.401964 1.218248
C 3.373716 1.404098 -1.217481
C -5.178621 0.884431 -1.214214
C -5.178691 0.885101 1.214536
C 4.761705 1.565042 1.212657
C 4.761546 1.567143 -1.211794
C -5.874844 0.878844 0.000141
C 5.455303 1.648061 0.000453
H -1.666789 3.068854 0.000235
H 0.829118 3.297949 0.000289
H 3.274015 -1.323809 0.000315
H -3.145705 -1.761783 -0.898138
H -3.144067 -1.762382 0.901496
H -2.557967 -3.186891 0.000635
H -0.738003 -4.382635 -0.000242
H 3.544710 -3.811143 0.000018
H 1.576407 -5.304508 -0.000271
H -3.238141 0.910111 -2.172762
H -3.238273 0.911307 2.173183
H 2.836073 1.339064 2.163834
H 2.835785 1.342841 -2.163108
H -5.729148 0.887020 -2.159483
H -5.729276 0.888207 2.159768
H 5.305036 1.630867 2.157181
H 5.304744 1.634588 -2.156281
H -6.969130 0.875486 0.000111
H 6.539438 1.778846 0.000497


%chk=000187964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187964

1 1
N -1.225580 -1.544700 0.000674
N -1.644050 0.912535 -0.000036
C -0.849507 -0.217568 0.000324
C 0.597851 -0.105373 0.000221
C 1.109277 -1.466654 0.000486
C -0.028162 -2.334873 0.000789
C 1.212525 1.163562 -0.000195
C -1.032835 2.162597 -0.000565
C 0.352324 2.304052 -0.000669
C 2.414947 -2.016790 0.000384
C -2.582310 -2.128942 0.001311
C 0.099601 -3.735884 0.001051
C -3.116254 0.883631 0.000012
C 2.698824 1.337014 -0.000041
C 2.552346 -3.418436 0.000606
C 1.409825 -4.264614 0.000955
C -3.800911 0.905663 -1.233830
C -3.800864 0.906284 1.233865
C 3.406519 1.424613 1.226848
C 3.406023 1.431559 -1.226695
C -5.214298 0.925211 -1.226842
C -5.214251 0.925831 1.226922
C 4.808329 1.603606 1.223620
C 4.807857 1.610415 -1.223016
C -5.919234 0.931392 0.000053
C 5.511669 1.696241 0.000411
H -1.718946 3.011179 -0.000817
H 0.779326 3.309280 -0.000990
H 3.295365 -1.369281 0.000148
H -3.147137 -1.830267 -0.895557
H -3.146048 -1.830784 0.899053
H -2.485834 -3.223036 0.000918
H -0.760912 -4.410541 0.001296
H 3.550822 -3.865597 0.000520
H 1.545325 -5.350911 0.001140
H -3.244461 0.910838 -2.177276
H -3.244381 0.911947 2.177288
H 2.866726 1.353371 2.177745
H 2.865856 1.365604 -2.177760
H -5.760380 0.942186 -2.175076
H -5.760296 0.943292 2.175168
H 5.347597 1.673110 2.173989
H 5.346765 1.685113 -2.173195
H -7.013569 0.949875 0.000069
H 6.597325 1.837549 0.000594


