%chk=000218157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218157

0 1
S -2.913202 -0.350337 1.418621
S -4.410769 -0.863619 0.109278
O -3.399631 -1.061676 -1.223934
O -4.922635 -2.154265 0.414549
O -5.226425 0.266505 -0.172878
N -0.185330 1.779058 1.042369
N -1.167589 1.020828 -1.069502
C 2.022157 0.618176 1.012402
C 1.672489 -0.601802 0.137907
C 3.525338 0.955429 1.039764
C 2.555895 -1.831903 0.402413
C 4.167599 1.366007 -0.290565
C 3.552036 -2.130654 -0.728285
C 4.194760 0.275206 -1.371760
C 4.678521 -1.096558 -0.875995
C 1.206680 1.863209 0.576211
C -1.173802 1.363219 0.312637
C -2.536860 1.367645 0.961756
H 1.726705 0.373314 2.067390
H 1.744233 -0.321175 -0.933677
H 0.614424 -0.873091 0.318838
H 4.070976 0.076476 1.445208
H 3.690873 1.767972 1.776307
H 1.907316 -2.718585 0.545964
H 3.104192 -1.714299 1.357696
H 5.207756 1.692160 -0.083766
H 3.652678 2.258395 -0.696388
H 3.008332 -2.228016 -1.687848
H 4.006949 -3.125109 -0.544493
H 4.844380 0.616298 -2.200853
H 3.179382 0.175554 -1.810941
H 5.211386 -0.987337 0.088737
H 5.431953 -1.493920 -1.584046
H 1.315196 2.042096 -0.513287
H 1.625095 2.770677 1.077504
H -2.526891 1.971939 1.902951
H -3.313272 1.835076 0.317293
H -0.278692 0.717655 -1.447633
H -1.927579 0.434828 -1.408687
H -3.669626 -1.688875 -1.912553


%chk=000218157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218157

0 1
S -3.208306 -0.754869 1.469701
S -4.990030 -0.585093 -0.286213
O -3.698737 -0.482065 -1.710724
O -5.929730 -1.874517 -0.524409
O -5.661783 0.891739 -0.253864
N -0.189228 1.448505 1.194877
N -1.207733 0.548348 -0.816649
C 2.192936 0.666649 1.091981
C 1.870183 -0.743454 0.519269
C 3.636263 1.182996 0.843790
C 2.954700 -1.834892 0.757394
C 4.091257 1.448669 -0.613239
C 3.859198 -2.152462 -0.463022
C 4.163911 0.222313 -1.565975
C 4.830960 -1.050971 -0.966362
C 1.139568 1.712322 0.617856
C -1.203984 0.998126 0.489598
C -2.545405 0.982848 1.204733
H 2.077245 0.597048 2.194766
H 1.675229 -0.670693 -0.570666
H 0.915976 -1.070221 0.975969
H 4.343983 0.470755 1.310279
H 3.754171 2.129503 1.412039
H 2.450093 -2.779797 1.040515
H 3.583878 -1.559680 1.628174
H 5.106146 1.893296 -0.555076
H 3.449448 2.226462 -1.075336
H 3.205067 -2.450199 -1.310006
H 4.463443 -3.049269 -0.213800
H 4.731820 0.540293 -2.463093
H 3.153124 -0.039036 -1.934767
H 5.523863 -0.761206 -0.149920
H 5.466915 -1.516887 -1.745421
H 1.138132 1.769400 -0.497375
H 1.457025 2.707548 0.988283
H -2.429139 1.445796 2.199372
H -3.317438 1.548416 0.644846
H -0.328176 0.429660 -1.316301
H -2.069706 0.147358 -1.228545
H -4.190141 -0.266233 -2.553975


