%chk=000239192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239192

0 1
O 6.055920 0.705149 0.634185
O 0.011821 -0.907637 -1.329505
O -0.658233 0.874435 -0.051166
N 3.490223 -0.216563 -0.213477
N -2.139587 -0.835072 -0.728917
C 3.699979 1.211192 0.198595
C 4.412786 -1.111624 0.559319
C 2.061053 -0.620975 -0.033545
C 5.163801 1.587881 -0.077408
C 5.860227 -0.677156 0.274394
C 1.372175 -0.372933 -1.382004
C -0.921087 -0.159204 -0.626073
C -3.370212 -0.395032 -0.141965
C -4.505106 -1.206077 -0.347901
C -3.459406 0.788611 0.609263
C -5.725162 -0.817594 0.206775
C -4.691392 1.154887 1.153385
C -5.824528 0.358919 0.956849
H 3.459956 1.392382 1.269017
H 3.021422 1.855098 -0.400653
H 4.260203 -2.156455 0.214751
H 4.222510 -1.089074 1.653935
H 1.530542 -0.064357 0.772154
H 1.975938 -1.696712 0.230774
H 5.402353 1.547208 -1.154745
H 5.426465 2.576168 0.338579
H 6.586943 -1.196783 0.922770
H 6.125697 -0.812887 -0.788984
H 1.803710 -0.973063 -2.204521
H 1.331202 0.694685 -1.654633
H -2.155593 -1.704598 -1.271241
H -4.441479 -2.122232 -0.928831
H -2.577806 1.418048 0.767056
H -6.607133 -1.439194 0.051950
H -4.766145 2.072943 1.737223
H -6.779558 0.653615 1.385196


%chk=000239192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239192

0 1
O 6.026187 0.878156 0.705229
O -0.002356 -1.036855 -1.305378
O -0.623409 0.955155 -0.200340
N 3.536360 -0.320433 -0.179743
N -2.148605 -0.808646 -0.650228
C 3.582786 1.082544 0.313117
C 4.586217 -1.134625 0.483721
C 2.181885 -0.913720 -0.117881
C 4.975133 1.678833 0.052928
C 5.966634 -0.509966 0.217862
C 1.393734 -0.533337 -1.385979
C -0.917650 -0.177207 -0.659535
C -3.375461 -0.327981 -0.113035
C -4.512615 -1.171854 -0.230774
C -3.496662 0.935988 0.522728
C -5.758711 -0.757556 0.281193
C -4.752355 1.334316 1.030027
C -5.887762 0.499823 0.916304
H 3.361885 1.130077 1.408655
H 2.817336 1.685843 -0.208227
H 4.562886 -2.160809 0.070647
H 4.423993 -1.200664 1.588757
H 1.612872 -0.584458 0.783050
H 2.272508 -2.014198 -0.068057
H 5.162725 1.722253 -1.041620
H 5.063566 2.688608 0.486468
H 6.760075 -1.048239 0.762359
H 6.177286 -0.533215 -0.873347
H 1.817403 -1.020977 -2.276421
H 1.370963 0.561018 -1.525439
H -2.159026 -1.730450 -1.092464
H -4.420396 -2.149045 -0.722196
H -2.621399 1.582715 0.611039
H -6.627621 -1.417678 0.183388
H -4.840140 2.310771 1.519616
H -6.855767 0.821810 1.314177


