%chk=000190533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190533

0 1
S -2.472076 -2.642331 0.080059
F -0.769393 -4.298062 -0.890218
F -0.821681 -4.243781 1.214906
N 0.750716 1.294378 -0.004649
N -1.549130 1.766203 -0.060753
N -0.757183 -0.563547 0.036514
N -3.866007 2.165548 -0.115420
N -3.148693 -0.110631 -0.022101
C 4.438300 0.253081 0.020686
C 3.221879 1.187261 -0.032573
C 5.750697 1.043974 -0.059104
C 1.921691 0.379039 0.048679
C 6.969616 0.111920 -0.006271
C 8.279273 0.892626 -0.085583
C -0.534250 0.820220 -0.009510
C -2.842081 1.260076 -0.065360
C -5.290998 1.731380 -0.125091
C -2.067827 -0.923390 0.025955
C -6.204428 2.947813 -0.168042
C -0.816626 -3.430530 0.140123
H 4.390487 -0.479038 -0.809607
H 4.416629 -0.344763 0.953254
H 3.248349 1.783084 -0.967178
H 3.275594 1.918791 0.798589
H 5.777810 1.642000 -0.990512
H 5.804090 1.776179 0.769662
H 1.877457 -0.216946 0.991076
H 1.852740 -0.354281 -0.790083
H 6.920919 -0.620491 -0.836053
H 6.947427 -0.485996 0.926092
H 0.906341 2.300010 -0.034841
H 8.352979 1.466511 -1.016415
H 8.379621 1.600823 0.744827
H 9.143642 0.219688 -0.047374
H -5.489348 1.108619 0.780769
H -5.463502 1.064831 -1.004570
H -3.650739 3.159786 -0.147346
H -6.071760 3.600378 0.704499
H -6.047925 3.556012 -1.068194
H -7.257890 2.634738 -0.174359
H 0.071981 -2.757782 0.144817


%chk=000190533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190533

0 1
S -2.586536 -2.724886 0.141328
F -0.689809 -4.394218 -0.867595
F -0.676320 -4.203443 1.400354
N 0.712930 1.190641 -0.078569
N -1.564879 1.714391 -0.104434
N -0.810072 -0.605165 0.020151
N -3.867064 2.132560 -0.127263
N -3.187731 -0.116353 -0.002773
C 4.446991 0.236098 -0.027108
C 3.186961 1.129661 -0.050516
C 5.761838 1.047802 -0.034322
C 1.887541 0.302399 -0.037790
C 7.025309 0.157265 -0.016828
C 8.335537 0.973906 -0.023068
C -0.581443 0.760307 -0.053882
C -2.847997 1.227061 -0.077243
C -5.295857 1.766436 -0.108210
C -2.120804 -0.942510 0.041819
C -6.166233 3.032953 -0.143790
C -0.863753 -3.460261 0.196526
H 4.432201 -0.444319 -0.903470
H 4.422357 -0.412582 0.872783
H 3.209223 1.769964 -0.956615
H 3.201641 1.808791 0.826617
H 5.787636 1.700114 -0.932281
H 5.781297 1.726168 0.844213
H 1.842576 -0.327999 0.871412
H 1.863106 -0.386060 -0.905285
H 7.005699 -0.520082 -0.894830
H 6.998707 -0.495316 0.879567
H 0.844857 2.201949 -0.136236
H 8.401477 1.611201 -0.925160
H 8.393710 1.637110 0.860685
H 9.222996 0.315062 -0.009657
H -5.506718 1.169621 0.798436
H -5.518547 1.112735 -0.972283
H -3.593731 3.115111 -0.183613
H -5.972510 3.678543 0.732664
H -5.983039 3.621997 -1.061604
H -7.234300 2.756714 -0.129342
H -0.120547 -2.649964 0.126515


