%chk=000194569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194569

0 1
O 0.261330 0.207212 -1.967063
O 5.228506 0.678757 -1.073025
N -3.394606 1.346748 -0.491953
C 1.578530 1.129934 -0.165528
C 0.290316 0.321351 -0.518969
C 2.819135 0.470994 -0.791331
C 1.782274 1.301973 1.350303
C -0.978770 1.075887 -0.071825
C 4.071415 1.311747 -0.505625
C 3.035083 2.142683 1.639557
C 4.284425 1.524564 1.002815
C -2.256324 0.375155 -0.565149
C 0.333165 -1.118749 -0.031877
C -4.552964 0.918117 -1.346799
C -3.960359 1.464514 0.894094
C -5.567490 0.173352 -0.450513
C -5.189084 0.532442 0.998010
C -0.012793 -1.440966 1.288545
C 0.728532 -2.140165 -0.909170
C 0.046822 -2.767052 1.726838
C 0.783311 -3.464729 -0.468925
C 0.445678 -3.780989 0.850829
H 1.459780 2.145580 -0.620602
H 2.947101 -0.556071 -0.399441
H 2.676949 0.351090 -1.884518
H 1.885156 0.309390 1.831935
H 0.897850 1.781505 1.807963
H -0.997669 1.182228 1.028467
H -0.961519 2.115152 -0.461056
H 4.052936 2.279971 -1.055613
H 2.893316 3.175094 1.265079
H 3.179238 2.234294 2.732937
H 5.166969 2.171182 1.165397
H 4.525130 0.561793 1.490877
H -2.432028 -0.558503 0.009524
H -2.112909 0.063377 -1.625846
H -5.001082 1.848061 -1.757812
H -4.231342 0.308131 -2.209392
H -3.206882 1.245888 1.670379
H -4.261979 2.525777 1.022970
H -5.515258 -0.915632 -0.613711
H -6.600564 0.474799 -0.685194
H -6.020977 1.030124 1.520919
H -4.951766 -0.373251 1.579535
H 0.040815 1.065166 -2.377656
H 5.354340 -0.220103 -0.718371
H -0.334569 -0.662961 1.978388
H 0.982623 -1.890284 -1.943133
H -0.220571 -3.009911 2.753448
H 1.088593 -4.251520 -1.156654
H 0.490784 -4.812447 1.193742


%chk=000194569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194569

0 1
O 0.281090 0.201334 -2.093254
O 5.353519 0.518285 -0.992636
N -3.441545 1.464218 -0.378625
C 1.609381 1.103886 -0.215986
C 0.285430 0.336178 -0.607895
C 2.880037 0.364405 -0.711395
C 1.761123 1.448647 1.289140
C -0.969953 1.156969 -0.199059
C 4.151669 1.201534 -0.469290
C 3.039975 2.283892 1.544462
C 4.307232 1.566532 1.020442
C -2.297417 0.568018 -0.718344
C 0.256251 -1.100341 -0.064401
C -4.662674 1.210485 -1.196780
C -3.938797 1.287821 1.019415
C -5.419004 0.020551 -0.513299
C -4.989442 0.116966 0.988154
C -0.081784 -1.361236 1.289476
C 0.587895 -2.196801 -0.900265
C -0.080842 -2.679472 1.796818
C 0.585256 -3.516504 -0.395410
C 0.254607 -3.765633 0.956286
H 1.550682 2.076297 -0.762202
H 2.975055 -0.599291 -0.167921
H 2.794192 0.127312 -1.786543
H 1.819324 0.509263 1.874046
H 0.881979 2.011616 1.654826
H -1.017385 1.254795 0.901022
H -0.872575 2.188600 -0.594800
H 4.111026 2.127480 -1.074007
H 2.941598 3.267616 1.039935
H 3.143333 2.492699 2.626450
H 5.204843 2.198066 1.154563
H 4.470182 0.633969 1.602678
H -2.425544 -0.467452 -0.324626
H -2.240805 0.485701 -1.818230
H -5.295949 2.119011 -1.168515
H -4.394076 1.016854 -2.248978
H -3.101975 1.095734 1.712533
H -4.431045 2.225820 1.340028
H -5.097408 -0.942025 -0.949558
H -6.512721 0.098263 -0.644248
H -5.846184 0.335725 1.649900
H -4.539909 -0.831389 1.331746
H 0.329480 1.115694 -2.473428
H 5.438809 -0.353455 -0.526990
H -0.361126 -0.537847 1.956035
H 0.828458 -2.000701 -1.948047
H -0.347257 -2.857633 2.845013
H 0.839374 -4.350431 -1.059882
H 0.252214 -4.789325 1.347446


