%chk=000297976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297976

0 1
S -1.806117 2.366936 -0.522394
O -2.838605 2.861730 -1.408696
O -1.265125 3.236141 0.496386
O 2.523692 -3.607402 -1.815957
O 3.130252 -3.237769 0.290569
N -0.481250 1.954231 -1.589605
C 0.350205 0.818605 -1.388942
C 1.153089 0.720829 -0.190349
C 1.873417 -0.482501 0.063146
C -2.274278 0.868574 0.164003
C 0.396984 -0.197627 -2.339516
C 1.843791 -1.538595 -0.914126
C -0.602931 2.465263 -2.980201
C 1.145715 -1.363229 -2.099838
C 1.302190 1.813837 0.721270
C 2.628064 -0.590241 1.273465
C -1.738514 0.449438 1.389865
C -3.219511 0.066089 -0.488852
C 2.054528 1.689406 1.862038
C 2.711938 0.461649 2.150318
C -3.062332 -1.581542 1.284523
C -2.125013 -0.767459 1.946621
C -3.611306 -1.152037 0.062603
C 2.555848 -2.801937 -0.684683
C -3.462291 -2.887362 1.881204
H -0.162474 -0.120724 -3.269682
H -0.923685 3.524667 -2.952714
H -1.343883 1.908437 -3.578337
H 0.372056 2.429739 -3.494838
H 1.153619 -2.152975 -2.861329
H 0.819784 2.774942 0.494666
H 3.149286 -1.531033 1.490468
H -1.011318 1.081221 1.916368
H -3.661640 0.399609 -1.434756
H 2.164187 2.526446 2.550171
H 3.291603 0.375078 3.069791
H -1.696954 -1.090727 2.894780
H -4.344328 -1.770131 -0.452889
H -4.245630 -3.403224 1.309517
H -2.603937 -3.575821 1.941459
H -3.842561 -2.764220 2.907000
H 3.004737 -4.464611 -1.671127


%chk=000297976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297976

0 1
S -1.825720 2.482579 -0.484942
O -3.016693 2.916178 -1.522031
O -1.401897 3.475052 0.732364
O 2.343030 -3.716787 -1.831723
O 3.035259 -3.303491 0.331427
N -0.096480 2.200568 -1.724472
C 0.518805 0.956212 -1.483241
C 1.265652 0.791433 -0.241318
C 1.910143 -0.475962 0.057976
C -2.292473 0.802981 0.239510
C 0.510355 -0.103401 -2.422238
C 1.844803 -1.541494 -0.928546
C -0.591795 2.501999 -3.085593
C 1.174698 -1.316645 -2.149549
C 1.390360 1.879571 0.677686
C 2.605830 -0.603629 1.308088
C -1.750028 0.427652 1.480098
C -3.198740 0.010129 -0.482415
C 2.086094 1.725060 1.880361
C 2.681842 0.470008 2.201151
C -3.050573 -1.664470 1.324608
C -2.141841 -0.816879 2.015129
C -3.574320 -1.231355 0.078122
C 2.459828 -2.874285 -0.703397
C -3.451836 -3.001643 1.918369
H -0.018303 0.007034 -3.373249
H -1.140223 3.456449 -3.058993
H -1.263815 1.741679 -3.533235
H 0.296594 2.625091 -3.733206
H 1.151374 -2.123181 -2.886241
H 0.943784 2.842168 0.416416
H 3.081319 -1.557267 1.544868
H -1.061912 1.090118 2.014078
H -3.621947 0.366142 -1.427151
H 2.183453 2.572796 2.566787
H 3.224137 0.350054 3.145711
H -1.735036 -1.132734 2.982578
H -4.288203 -1.866278 -0.458432
H -4.218287 -3.506226 1.306815
H -2.580512 -3.678812 1.994914
H -3.857150 -2.879613 2.939666
H 2.771729 -4.585100 -1.605351


