%chk=000227683.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227683

0 1
S -2.694858 1.395300 0.101419
O -0.878665 -2.105443 0.334742
O 0.268121 2.079210 1.869640
N -0.605456 0.050239 1.150270
N -3.140462 -0.398233 -2.062066
C 1.357032 -1.036539 0.318674
C 1.741748 0.380466 0.832031
C 1.690730 -1.303600 -1.159092
C 2.389692 1.295505 -0.221090
C -0.148084 -1.175666 0.551699
C 0.446424 1.009086 1.350609
C 3.005414 -0.690611 -1.538446
C 3.333678 0.528733 -1.098413
C -2.007225 0.329367 1.429472
C -2.950195 0.294904 -1.158809
H 1.883019 -1.803607 0.940972
H 2.451779 0.275596 1.690404
H 0.898205 -0.884953 -1.820864
H 1.681375 -2.396838 -1.347459
H 2.900234 2.138789 0.287174
H 1.609230 1.764622 -0.862557
H 3.646313 -1.281619 -2.187048
H 4.266837 1.022525 -1.354689
H -2.116937 0.923946 2.370088
H -2.585446 -0.619780 1.526641


%chk=000227683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227683

0 1
S -3.220760 0.790750 0.148876
O -0.874501 -2.310131 0.581599
O 0.075556 2.125145 1.755947
N -0.686983 -0.051278 1.245786
N -1.177993 0.897610 -1.945415
C 1.290434 -1.061037 0.348309
C 1.606622 0.415270 0.740147
C 1.577572 -1.395130 -1.154366
C 2.154577 1.283439 -0.442378
C -0.179289 -1.279209 0.706545
C 0.305039 0.982298 1.305413
C 2.909199 -0.794185 -1.568433
C 3.186463 0.491962 -1.225738
C -2.043252 0.135918 1.634920
C -2.031493 0.860664 -1.101784
H 1.893728 -1.755436 0.961468
H 2.362771 0.440967 1.546319
H 0.768230 -0.962172 -1.776701
H 1.548046 -2.487747 -1.298750
H 2.563414 2.227229 -0.045282
H 1.310289 1.549897 -1.110308
H 3.613688 -1.399642 -2.150319
H 4.125737 0.975760 -1.517569
H -2.129497 0.930302 2.388343
H -2.505097 -0.819842 1.916675


