%chk=000192939.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192939

0 1
S -7.797585 1.313459 0.507128
O 1.162467 3.113232 0.508849
N -5.057620 1.326857 0.164991
C 1.322063 -0.353791 -0.024359
C 0.564297 0.765878 0.130734
C 2.769045 0.006963 -0.002484
C 2.874282 1.418747 0.181737
C 1.484106 1.974433 0.300207
C 0.884352 -1.744650 -0.179081
C -0.885335 0.908793 0.135667
C 3.901176 -0.773393 -0.119130
C 4.099174 2.045683 0.239046
C 5.159971 -0.129661 -0.060836
C 5.259602 1.245556 0.111628
C 0.099988 -2.349612 0.816772
C 1.256691 -2.476195 -1.318776
C -1.495156 1.913225 0.913849
C -1.691720 0.058656 -0.645430
C -2.880124 2.056364 0.936846
C -3.079349 0.185768 -0.639801
C -0.303820 -3.678989 0.671631
C 0.842731 -3.802975 -1.459155
C -3.665553 1.183675 0.160328
C 0.065188 -4.406117 -0.464974
C -6.227807 1.286240 0.352398
H 3.839042 -1.852644 -0.247939
H 4.177488 3.124364 0.379143
H 6.063777 -0.733711 -0.152974
H 6.238501 1.722589 0.152823
H -0.191510 -1.780235 1.699532
H 1.860482 -2.006077 -2.094451
H -0.872608 2.601062 1.496668
H -1.228444 -0.709802 -1.268810
H -3.345838 2.835493 1.540464
H -3.698004 -0.474098 -1.247396
H -0.909565 -4.148952 1.446031
H 1.127112 -4.368783 -2.345652
H -0.253495 -5.441751 -0.576025


%chk=000192939-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192939

0 1
S -7.938572 1.653757 0.293378
O 1.165072 3.136567 0.589576
N -5.118310 1.344907 0.244189
C 1.345033 -0.379313 -0.055373
C 0.558952 0.748195 0.183541
C 2.791590 0.018381 -0.079346
C 2.882994 1.416677 0.163024
C 1.488892 1.939931 0.351391
C 0.911432 -1.787720 -0.195254
C -0.906695 0.885344 0.203648
C 3.961878 -0.741994 -0.238824
C 4.109993 2.083362 0.230072
C 5.218760 -0.072257 -0.180990
C 5.297858 1.319586 0.045349
C 0.010274 -2.366001 0.743419
C 1.410413 -2.602415 -1.250877
C -1.530737 1.871240 1.024979
C -1.745347 0.077333 -0.621276
C -2.927208 2.026054 1.046183
C -3.140552 0.224689 -0.613711
C -0.380816 -3.715100 0.627186
C 1.004099 -3.948713 -1.374932
C -3.746561 1.199585 0.229071
C 0.110678 -4.512101 -0.434600
C -6.317513 1.477699 0.266131
H 3.923230 -1.825281 -0.389198
H 4.147248 3.160220 0.424945
H 6.140535 -0.650544 -0.309362
H 6.276214 1.809738 0.087202
H -0.369591 -1.753421 1.567717
H 2.087523 -2.168182 -1.995038
H -0.909989 2.524403 1.642787
H -1.294842 -0.663257 -1.288256
H -3.394210 2.782016 1.684833
H -3.771984 -0.396579 -1.256251
H -1.067660 -4.145927 1.363874
H 1.384384 -4.556237 -2.203505
H -0.198463 -5.559040 -0.526501


