%chk=000198112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198112

0 1
S -1.398636 -0.405948 -2.047187
P -1.790143 -0.207885 -0.195306
O -3.269129 -0.680160 0.311115
O -1.771909 1.207837 0.584073
O -0.989446 -1.379303 0.809732
O 4.174603 -0.003617 0.289009
N 0.629996 0.032597 0.100310
N 1.868507 0.425975 -0.056158
C -3.757100 -2.013687 -0.095477
C -1.294231 2.415050 -0.142750
C -4.691812 -1.795227 -1.274483
C -4.464269 -2.497457 1.163274
C -0.790203 3.266739 1.012401
C -2.494342 3.006758 -0.864247
C 0.343988 -1.139613 0.749423
C 1.331614 -1.998923 1.291514
C 2.640652 -1.594598 1.125149
C 2.875609 -0.364917 0.433952
C 4.447294 1.244535 -0.460709
C 5.958723 1.303093 -0.455554
H -2.904557 -2.680317 -0.357420
H -0.467490 2.146219 -0.842287
H -5.336005 -2.663346 -1.447416
H -4.140512 -1.600592 -2.206082
H -5.341692 -0.925470 -1.104834
H -4.958240 -3.460928 1.007009
H -3.755689 -2.601343 1.995858
H -5.222719 -1.772523 1.490665
H -0.490942 4.264671 0.677714
H 0.076149 2.792189 1.493842
H -1.560933 3.380077 1.787323
H -2.341125 4.067114 -1.094517
H -2.702301 2.498213 -1.815744
H -3.403668 2.933611 -0.250436
H 1.048708 -2.917892 1.802286
H 3.487920 -2.171962 1.494687
H 3.968074 2.076876 0.081750
H 4.009888 1.139641 -1.468761
H 6.321214 2.192244 -0.986106
H 6.358690 1.333010 0.567645
H 6.397864 0.419260 -0.939857


%chk=000198112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198112

0 1
S -1.836220 -0.360970 -2.387941
P -2.078756 -0.164522 -0.347432
O -3.488774 -0.795593 0.381369
O -2.141871 1.364472 0.403370
O -0.939238 -1.187117 0.629530
O 4.403264 -0.082735 0.343551
N 0.816876 0.237637 0.011001
N 2.158527 0.536580 -0.067954
C -3.995802 -2.155314 -0.051670
C -1.429541 2.550759 -0.228286
C -5.195599 -1.931083 -0.978753
C -4.330681 -2.891436 1.247859
C -0.870571 3.335741 0.959544
C -2.449550 3.319069 -1.073796
C 0.420028 -0.940708 0.553724
C 1.323450 -1.917555 1.064640
C 2.683153 -1.621083 0.992197
C 3.055773 -0.370248 0.411186
C 4.791957 1.224932 -0.268919
C 6.314338 1.284756 -0.213074
H -3.182113 -2.675640 -0.595391
H -0.604082 2.150409 -0.844613
H -5.636913 -2.902628 -1.269568
H -4.887545 -1.398144 -1.894345
H -5.968025 -1.334947 -0.462212
H -4.724417 -3.899264 1.020052
H -3.432525 -2.992112 1.879626
H -5.098041 -2.335619 1.814244
H -0.352677 4.241900 0.594560
H -0.148651 2.719513 1.519775
H -1.683484 3.645346 1.639651
H -1.973367 4.221342 -1.501059
H -2.820131 2.697636 -1.907114
H -3.306608 3.636128 -0.453974
H 0.944259 -2.849445 1.489281
H 3.454521 -2.303630 1.356211
H 4.310250 2.037248 0.305011
H 4.398764 1.258116 -1.301139
H 6.665471 2.234814 -0.655251
H 6.673582 1.232372 0.828930
H 6.763369 0.451024 -0.779422


