%chk=000266246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266246

0 1
N -2.746664 -1.123071 -0.344784
N 2.358594 -0.188516 1.692065
N -1.181185 -0.036739 1.126725
N 0.044060 0.182088 1.542889
N -3.773825 -0.400315 0.185888
N 3.415645 0.090436 0.853780
C -0.345906 -1.657049 -0.524041
C 0.972781 -1.428221 -0.048098
C -1.426616 -0.909965 0.112155
C 1.116470 -0.460986 1.020624
C -0.549610 -2.593894 -1.577313
C 2.055290 -2.158503 -0.618342
C 0.513711 -3.278025 -2.120501
C 1.829389 -3.061107 -1.631922
C -6.096489 0.182938 0.324798
C 5.655843 0.856569 0.453645
C -8.386900 1.132178 0.014315
C 8.129029 0.646129 0.174484
C -7.208867 0.359523 -0.411457
C 6.867178 0.509738 0.919789
C -4.985191 -0.618611 -0.251618
C 4.470899 0.682489 1.338012
C -9.617517 0.479470 0.196936
C 8.867128 -0.502778 -0.155971
C -8.299849 2.520534 0.209435
C 8.616626 1.913624 -0.183696
C -5.894288 0.723542 1.698687
C 5.387497 1.425799 -0.897892
C -10.745397 1.210809 0.576840
C 10.076789 -0.380762 -0.843494
C -9.433454 3.245085 0.585253
C 9.829753 2.027189 -0.867335
C -10.656943 2.593232 0.770732
C 10.560954 0.882411 -1.199796
H -1.557679 -2.767235 -1.953957
H 3.068505 -1.990136 -0.239118
H 0.361099 -3.994406 -2.928042
H 2.655963 -3.620282 -2.071392
H -2.885841 -1.822198 -1.084334
H 2.231384 0.398341 2.541187
H -7.307859 -0.072028 -1.409777
H 6.988803 0.076495 1.916288
H -5.279448 -1.340966 -1.024867
H 4.594169 1.073023 2.358543
H -9.688074 -0.595670 0.048466
H 8.491901 -1.486075 0.120047
H -7.347387 3.027328 0.064018
H 8.049381 2.804717 0.077379
H -6.764217 1.275050 2.077559
H -5.024207 1.402896 1.729980
H -5.672182 -0.081428 2.415197
H 6.282370 1.445943 -1.535766
H 5.005073 2.453890 -0.829335
H 4.622074 0.835429 -1.428179
H -11.696752 0.701991 0.722134
H 10.645181 -1.272798 -1.101721
H -9.363025 4.321288 0.734284
H 10.206704 3.011246 -1.141217
H -11.537321 3.159802 1.064709
H 11.504551 0.973848 -1.732879


%chk=000266246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266246

0 1
N -2.901997 -0.380481 -0.639879
N 2.415240 0.655772 0.427678
N -1.154909 0.694570 0.530880
N 0.185735 0.920965 0.740818
N -3.852600 0.332068 0.051301
N 3.601344 0.185224 -0.072170
C -0.588080 -0.796601 -1.367737
C 0.820328 -0.587617 -1.117582
C -1.531364 -0.140620 -0.474176
C 1.137209 0.297873 -0.013491
C -0.976068 -1.611591 -2.475952
C 1.783061 -1.221701 -1.962921
C -0.015505 -2.223580 -3.290013
C 1.370134 -2.031979 -3.027375
C -6.202557 0.664044 0.564077
C 6.036809 0.220021 0.057951
C -8.795863 0.639701 0.806394
C 8.564029 0.603030 0.550944
C -7.485595 0.196211 0.319487
C 7.118818 0.783817 0.720703
C -5.114204 -0.038188 -0.109535
C 4.713166 0.646349 0.491116
C -9.936892 -0.113175 0.380606
C 9.414435 1.160421 1.558785
C -9.035488 1.759429 1.664008
C 9.198691 -0.062151 -0.545143
C -5.828428 1.825829 1.466627
C 6.125000 -0.809261 -1.054274
C -11.241897 0.223884 0.786092
C 10.815522 1.043249 1.493792
C -10.343707 2.096267 2.068103
C 10.602697 -0.174847 -0.610673
C -11.455136 1.335024 1.636406
C 11.421381 0.369375 0.406411
H -2.034312 -1.753810 -2.723135
H 2.840398 -1.050781 -1.754928
H -0.331434 -2.843199 -4.136233
H 2.116964 -2.512885 -3.668037
H -3.187106 -1.158578 -1.250466
H 2.386500 1.323417 1.217839
H -7.548697 -0.669624 -0.360336
H 6.860652 1.480532 1.534685
H -5.395593 -0.893823 -0.760820
H 4.667986 1.381564 1.319441
H -9.783010 -0.976925 -0.278921
H 8.954979 1.685896 2.405599
H -8.204611 2.372779 2.014748
H 8.602208 -0.471638 -1.362031
H -6.194894 1.665770 2.497299
H -6.259104 2.775489 1.097935
H -4.733252 1.933491 1.498254
H 6.841560 -1.610774 -0.802597
H 6.450883 -0.348664 -2.006361
H 5.136880 -1.263464 -1.225000
H -12.092159 -0.375547 0.441669
H 11.436180 1.477240 2.285671
H -10.497748 2.960283 2.724747
H 11.062392 -0.685154 -1.464867
H -12.468355 1.603000 1.955405
H 12.511488 0.277378 0.349182


