%chk=000293009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293009

0 1
O 4.732661 1.246293 0.001037
N 5.896232 -0.742895 -0.032439
C -4.155138 -0.564960 -0.000410
C -5.392276 0.343048 0.017781
C -2.857958 0.255045 0.008897
C -6.689855 -0.476387 0.008608
C -1.620442 -0.652488 -0.009340
C -7.926797 0.431896 0.026327
C -0.324348 0.168993 -0.000008
C -9.224674 -0.387106 0.017474
C 0.914267 -0.737329 -0.018438
C -10.461184 0.521388 0.034891
C 2.203778 0.090782 -0.008661
C -11.760418 -0.296467 0.025970
C 3.447954 -0.807830 -0.027098
C -12.994477 0.602976 0.043136
C 4.711279 0.033356 -0.017456
C 7.237807 -0.241220 -0.028169
C 8.281397 -1.191982 -0.044907
C 7.531081 1.133214 -0.008361
C 9.605884 -0.754014 -0.041608
C 8.863694 1.547046 -0.005439
C 9.903932 0.612241 -0.021944
H -4.181350 -1.218113 -0.893878
H -4.176142 -1.246394 0.871823
H -5.366450 0.996591 0.911054
H -5.371734 1.024752 -0.854330
H -2.832516 0.908700 0.902200
H -2.837759 0.937028 -0.863108
H -6.711000 -1.157575 0.881017
H -6.716001 -1.129924 -0.884569
H -1.641461 -1.333736 0.863048
H -1.646708 -1.305404 -0.902992
H -7.906096 1.113145 -0.846094
H -7.900896 1.085801 0.919292
H -0.304881 0.851781 -0.871806
H -0.299515 0.823248 0.893268
H -9.250744 -1.040957 -0.875468
H -9.245730 -1.067969 0.890133
H 0.887551 -1.389434 -0.912771
H 0.892715 -1.418337 0.854228
H -10.436654 1.175877 0.927251
H -10.441605 1.202978 -0.837068
H 2.229901 0.780133 -0.877665
H 2.235094 0.751237 0.882324
H -11.782345 -0.977300 0.899308
H -11.787228 -0.950263 -0.867655
H 3.426879 -1.459244 -0.924882
H 3.432315 -1.488084 0.849132
H -13.023754 1.264622 -0.830017
H -13.916291 0.010812 0.037113
H -13.018392 1.238298 0.935786
H 5.813070 -1.760786 -0.047777
H 8.066525 -2.256387 -0.060256
H 6.724068 1.873360 0.004690
H 10.413385 -1.485496 -0.054498
H 9.091724 2.613124 0.009924
H 10.938326 0.945718 -0.019499


%chk=000293009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293009

0 1
O 4.889662 1.301320 0.711230
N 5.964171 -0.623558 -0.097647
C -4.179420 -0.552629 0.136781
C -5.444104 0.330595 0.045004
C -2.864216 0.258246 0.112077
C -6.760171 -0.479303 0.047914
C -1.598300 -0.621368 0.220752
C -8.023850 0.406320 -0.034265
C -0.284639 0.189608 0.156100
C -9.340762 -0.402434 -0.041171
C 0.983098 -0.683133 0.297096
C -10.603893 0.484551 -0.117072
C 2.288621 0.131553 0.171220
C -11.921474 -0.323994 -0.124663
C 3.550446 -0.736611 0.350631
C -13.177289 0.571211 -0.197476
C 4.844194 0.092226 0.336885
C 7.324922 -0.203731 -0.179020
C 8.283742 -1.174934 -0.577665
C 7.743682 1.124225 0.105059
C 9.644598 -0.826032 -0.693071
C 9.110414 1.456360 -0.015888
C 10.067703 0.494320 -0.412995
H -4.177726 -1.276944 -0.704746
H -4.220966 -1.157655 1.066953
H -5.452620 1.047360 0.892890
H -5.395315 0.944253 -0.879090
H -2.871008 0.994309 0.943161
H -2.818532 0.850386 -0.826053
H -6.806733 -1.100765 0.966955
H -6.754657 -1.188702 -0.806211
H -1.630964 -1.195432 1.170695
H -1.604497 -1.372698 -0.596798
H -7.973980 1.031141 -0.950799
H -8.032309 1.112803 0.822234
H -0.243964 0.741768 -0.806093
H -0.287458 0.959579 0.955364
H -9.334465 -1.104495 -0.901381
H -9.389057 -1.031841 0.872387
H 0.963528 -1.480259 -0.476113
H 0.962167 -1.200878 1.279584
H -10.611758 1.186888 0.742886
H -10.556799 1.113989 -1.030649
H 2.322920 0.629529 -0.818178
H 2.310925 0.941983 0.922869
H -11.966279 -0.954169 0.787300
H -11.913749 -1.024006 -0.985233
H 3.587812 -1.527127 -0.426950
H 3.494665 -1.260100 1.329095
H -13.171110 1.187911 -1.116281
H -14.105692 -0.029353 -0.199930
H -13.222524 1.260411 0.667014
H 5.791122 -1.591071 -0.381485
H 7.964252 -2.202884 -0.794828
H 7.001532 1.863867 0.410052
H 10.372618 -1.585071 -1.000290
H 9.427745 2.482389 0.201865
H 11.124439 0.767478 -0.502912


