%chk=000221330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221330

0 1
S 2.528900 2.412456 -0.439728
O 3.718431 2.979738 0.157555
O 2.124013 2.826384 -1.754149
O 1.964979 -4.208613 -0.724359
O 3.791965 -4.054782 0.425705
N 1.301755 2.821967 0.725591
N 0.103402 2.225885 0.441148
N 2.848487 -3.572523 -0.176622
C 2.612938 0.676359 -0.366115
C 1.635212 -0.095192 -0.997897
C 3.669057 0.074252 0.324227
C 2.767270 -2.084466 -0.246108
C 1.706911 -1.492085 -0.940951
C 3.754713 -1.319257 0.388261
C -1.016841 2.573526 1.017907
C -3.450083 -0.296776 0.180607
C -2.224107 1.806911 0.643228
C -2.248509 0.470477 0.547079
C -4.297264 0.132618 -0.854057
C -3.744661 -1.486540 0.869602
C -1.208309 3.684367 2.005236
C -5.427435 -0.617452 -1.190439
C -4.878868 -2.227744 0.532229
C -5.721666 -1.795721 -0.497830
H 0.806238 0.384548 -1.535938
H 4.435257 0.690983 0.814152
H 0.949456 -2.115443 -1.429668
H 4.575047 -1.811398 0.922485
H 1.347859 3.692905 1.273866
H -3.108427 2.422090 0.459977
H -1.356322 -0.130501 0.750844
H -4.067726 1.045200 -1.401913
H -3.091873 -1.827769 1.671217
H -0.527593 3.586632 2.863591
H -2.226257 3.702354 2.421037
H -1.036717 4.668220 1.545069
H -6.079718 -0.282337 -1.995674
H -5.106511 -3.146406 1.071287
H -6.603205 -2.377567 -0.760549


%chk=000221330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221330

0 1
S 2.358723 2.114598 -0.824835
O 3.643864 3.074971 -0.538191
O 1.589503 2.073221 -2.261609
O 3.253911 -4.597712 -0.061736
O 4.821268 -3.834612 1.409451
N 1.138051 2.509759 0.727934
N -0.093078 1.966347 0.526035
N 3.887256 -3.649151 0.540057
C 2.820864 0.338935 -0.392152
C 2.137524 -0.695214 -1.051807
C 3.841372 0.134735 0.551190
C 3.513097 -2.244667 0.210258
C 2.494972 -2.023925 -0.742640
C 4.197865 -1.193831 0.859897
C -1.192129 2.537379 1.032360
C -3.914916 -0.034988 -0.039831
C -2.478119 1.871499 0.839369
C -2.650418 0.665524 0.199279
C -5.187771 0.477859 0.355976
C -3.878591 -1.297964 -0.703036
C -1.127291 3.821262 1.842033
C -6.367271 -0.245772 0.100248
C -5.060204 -2.022334 -0.959633
C -6.311640 -1.499881 -0.558280
H 1.369069 -0.460869 -1.794589
H 4.348724 0.987102 1.012937
H 2.006766 -2.877973 -1.218439
H 4.983569 -1.426428 1.582800
H 1.213198 3.554951 0.814171
H -3.343282 2.402728 1.254552
H -1.740953 0.170639 -0.168415
H -5.255079 1.446405 0.863635
H -2.909540 -1.706009 -1.015697
H -0.560612 3.672135 2.781256
H -2.134974 4.179743 2.101495
H -0.618624 4.633030 1.280536
H -7.335045 0.163245 0.411161
H -5.007775 -2.990042 -1.470204
H -7.232484 -2.059392 -0.755634


