%chk=000196672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196672

0 1
S 2.050583 0.381870 2.098672
O -0.059296 2.314229 -1.751802
O -2.534796 4.005214 -0.720855
O -0.398518 4.789026 0.347567
O 1.060604 1.293938 1.102250
O 1.427015 0.445095 3.385695
O 3.400029 0.786793 1.868335
O 2.468879 -0.926589 -0.562768
N -1.436683 0.530451 -1.102845
N -0.982728 -1.698661 -1.495037
N -2.036383 0.338983 1.338539
N 1.788566 -1.238560 1.577212
N -1.927180 -1.964718 2.153748
N -1.261987 -3.795005 0.803646
N 1.764257 -3.619734 -1.311680
C -1.807739 2.899957 -0.218356
C -0.447204 3.356736 0.384712
C -1.410153 1.979803 -1.407083
C 0.639650 2.904073 -0.615191
C 1.645114 1.880390 -0.081686
C -1.635460 -0.136309 0.114513
C -1.011328 -0.479752 -2.037173
C -1.369462 -1.529230 -0.152453
C -1.544729 -2.445288 0.922786
C -2.144645 -0.616222 2.297946
C 2.130214 -1.721144 0.290051
C 2.062501 -3.254351 0.087379
C 3.416288 -3.826626 0.513311
H -2.505339 2.434628 0.517466
H -0.288197 2.983584 1.419931
H -1.996267 2.173895 -2.339457
H 1.163943 3.779820 -1.071485
H 2.612471 2.353594 0.180389
H 1.811635 1.065658 -0.826654
H -1.913728 4.690938 -1.097238
H -0.969293 5.164165 1.058733
H -0.754119 -0.221992 -3.058343
H 1.353069 -1.895170 2.246905
H -2.444430 -0.282476 3.308103
H -1.584320 -4.420050 1.533024
H -1.210692 -4.191756 -0.128628
H 1.248723 -3.689781 0.730375
H 4.253019 -3.371333 -0.033967
H 3.603018 -3.689105 1.583713
H 3.454086 -4.906763 0.303048
H 0.872678 -3.226981 -1.619050
H 2.482335 -3.275546 -1.946203


%chk=000196672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196672

0 1
S 2.187030 0.300273 2.272809
O 0.192980 2.142627 -1.700641
O -2.241593 3.983413 -1.512648
O -0.711093 4.732846 0.517810
O 1.044918 1.285462 1.157593
O 1.443148 0.161222 3.695506
O 3.681110 0.893229 2.161790
O 2.830402 -0.956685 -0.601945
N -1.376436 0.396821 -1.121664
N -1.005813 -1.865996 -1.268886
N -2.106885 0.505398 1.273632
N 2.023551 -1.433595 1.538317
N -2.101007 -1.710419 2.338318
N -1.501015 -3.688680 1.195600
N 1.582777 -3.481815 -1.428226
C -1.855082 2.862409 -0.664390
C -0.674897 3.279398 0.276359
C -1.229251 1.798415 -1.584898
C 0.612344 2.954856 -0.530726
C 1.727150 2.238156 0.255106
C -1.683791 -0.133460 0.144521
C -0.972847 -0.686908 -1.913618
C -1.458599 -1.533563 0.023388
C -1.692173 -2.327434 1.181690
C -2.280721 -0.354107 2.320844
C 2.363321 -1.766131 0.240919
C 2.130606 -3.306071 -0.095541
C 3.495238 -4.016666 0.054595
H -2.720728 2.486583 -0.093883
H -0.725407 2.702910 1.213638
H -1.653061 1.868953 -2.599366
H 1.035933 3.893713 -0.934419
H 2.305178 2.973743 0.845105
H 2.391484 1.695822 -0.441428
H -1.881952 4.803691 -1.068308
H -1.131130 4.919333 1.393258
H -0.636515 -0.545347 -2.938270
H 1.527178 -2.062084 2.183716
H -2.601292 0.092909 3.265755
H -1.750146 -4.201962 2.039870
H -1.305815 -4.187693 0.329427
H 1.413397 -3.720014 0.637463
H 4.225066 -3.597986 -0.661753
H 3.906281 -3.897006 1.072388
H 3.367797 -5.090983 -0.159951
H 0.623522 -3.110192 -1.550052
H 2.220841 -3.167685 -2.168711


