%chk=000257120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257120

0 1
S -3.926730 0.260951 1.200704
O 1.228103 0.549439 2.496859
O -0.665406 0.210392 -1.914010
O 2.940115 2.861762 -1.044803
N 2.075057 1.676261 0.733430
N 1.111283 1.520133 -1.461688
N -5.996372 -0.630088 -0.538591
C 0.119415 0.098139 0.384446
C 0.426101 -1.419458 0.372993
C -1.264759 0.409567 1.018026
C 1.827854 -1.751368 -0.151389
C 1.153201 0.761004 1.308815
C 0.117680 0.581568 -1.069283
C -2.419599 -0.323126 0.353664
C 2.056570 -3.270444 -0.175365
C 2.114026 2.083372 -0.627648
C 3.450953 -3.616840 -0.689614
C -5.131852 -0.282308 0.142846
H -0.336441 -1.938218 -0.246809
H 0.304369 -1.816889 1.403705
H -1.431898 1.509713 0.984742
H -1.212975 0.144184 2.102432
H 1.970328 -1.343230 -1.171373
H 2.604039 -1.275060 0.479904
H -2.469850 -0.112954 -0.739651
H -2.331442 -1.422084 0.455509
H 1.292436 -3.758848 -0.812506
H 1.919130 -3.690202 0.841163
H 2.784140 2.096528 1.359382
H 1.112212 1.825682 -2.450977
H 4.237060 -3.184866 -0.059256
H 3.611328 -3.251729 -1.710846
H 3.607424 -4.702283 -0.705013


%chk=000257120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257120

0 1
S -4.012999 0.437938 1.132297
O 1.281507 0.448359 2.489724
O -0.520392 0.240728 -2.035360
O 2.926374 3.142636 -0.918665
N 2.076736 1.756272 0.761491
N 1.167599 1.685662 -1.418851
N -6.050989 -1.190218 -0.222768
C 0.175401 0.151953 0.318896
C 0.424585 -1.397410 0.298161
C -1.237776 0.492532 0.939266
C 1.835361 -1.809039 -0.178109
C 1.208102 0.780987 1.279327
C 0.233695 0.676970 -1.125651
C -2.416591 -0.245908 0.288547
C 2.017607 -3.344620 -0.175042
C 2.116170 2.259124 -0.551779
C 3.419385 -3.778957 -0.652914
C -5.198757 -0.538164 0.313751
H -0.328726 -1.854075 -0.369115
H 0.251720 -1.771971 1.324727
H -1.401979 1.586584 0.868061
H -1.175291 0.236566 2.013052
H 2.016147 -1.429135 -1.204927
H 2.608001 -1.356102 0.476104
H -2.504134 -0.050059 -0.788523
H -2.402899 -1.327542 0.484634
H 1.244763 -3.803954 -0.823970
H 1.837035 -3.729180 0.849007
H 2.756642 2.164401 1.412439
H 1.183296 2.034255 -2.383780
H 4.209708 -3.358219 -0.003274
H 3.612287 -3.432877 -1.685664
H 3.523912 -4.878835 -0.641294


