%chk=000269668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269668

0 1
S -1.870012 -1.436949 -1.648575
O -2.878218 -1.348749 -2.684950
O -0.916705 -2.522674 -1.618504
O 1.627562 4.237236 -1.701070
O 2.120414 -2.135169 1.344162
O 3.182162 4.056333 -0.071702
O 4.097361 -1.041347 1.246184
N -0.975470 0.036071 -1.909944
N -4.306942 -0.724134 3.664814
C 0.228740 0.397141 -1.271326
C -2.565054 -1.229409 -0.111260
C 0.986423 -0.540227 -0.537418
C 0.672610 1.737830 -1.351517
C 2.130324 -0.118907 0.144007
C 1.831459 2.126283 -0.676410
C 2.568721 1.209831 0.085841
C -3.837918 -0.644977 0.011204
C -1.886689 -1.652175 1.045746
C -4.425057 -0.463831 1.252623
C -2.446030 -1.484153 2.301815
C -3.728460 -0.882927 2.418834
C 2.317769 3.532487 -0.734644
C 2.929514 -1.090133 0.942283
C 2.003651 5.630638 -1.871208
C 2.761954 -3.193003 2.106169
H -1.306812 0.686124 -2.635005
H 0.714473 -1.607104 -0.519987
H 0.118493 2.474994 -1.937817
H 3.473842 1.526165 0.615975
H -4.378691 -0.332897 -0.891923
H -0.899252 -2.126448 0.956704
H -5.409746 -0.013075 1.332989
H -1.909331 -1.812414 3.187451
H -3.810426 -0.960390 4.504977
H -5.186558 -0.253340 3.776471
H 1.742044 6.188973 -0.967170
H 1.401912 5.935217 -2.733573
H 3.077567 5.703957 -2.073559
H 2.015141 -3.993371 2.081124
H 2.949341 -2.831738 3.121404
H 3.698293 -3.495137 1.623482


%chk=000269668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269668

0 1
S -2.247624 -0.169373 -1.372345
O -3.467965 0.505443 -2.218882
O -1.123787 -1.130483 -2.057157
O 2.362784 4.175860 -2.567500
O 1.846768 -1.386929 2.041000
O 4.356038 3.377858 -1.662286
O 3.979185 -0.530956 1.660295
N -1.387643 1.426858 -0.580391
N -4.561085 -3.139949 3.358049
C 0.028006 1.401027 -0.491203
C -2.944819 -1.069582 0.093101
C 0.649677 0.474587 0.388032
C 0.831987 2.319330 -1.217597
C 2.054080 0.473361 0.538520
C 2.234461 2.341405 -1.030345
C 2.850940 1.412570 -0.160634
C -4.158754 -0.618034 0.643766
C -2.252705 -2.190483 0.588694
C -4.698628 -1.314337 1.736723
C -2.798135 -2.883801 1.681777
C -4.025125 -2.454809 2.276312
C 3.106837 3.315000 -1.754125
C 2.744504 -0.494217 1.443058
C 3.153524 5.169361 -3.330898
C 2.461135 -2.380451 2.951461
H -1.750599 2.164261 -1.215623
H 0.042536 -0.227265 0.965126
H 0.376513 3.025113 -1.920007
H 3.937349 1.418371 -0.030057
H -4.675635 0.244778 0.212334
H -1.325378 -2.522059 0.110056
H -5.645456 -0.982929 2.178016
H -2.280240 -3.764766 2.077578
H -4.096578 -3.958466 3.741202
H -5.436328 -2.845033 3.781914
H 3.723757 5.813917 -2.641113
H 2.408552 5.748923 -3.893535
H 3.855295 4.656541 -4.009796
H 1.617595 -2.976411 3.327249
H 2.987193 -1.870216 3.775798
H 3.180166 -3.009413 2.400128


