%chk=000205662.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205662

0 1
S 2.685261 -0.903532 0.384299
O 3.669679 -0.402759 1.331348
O 2.050605 -2.191317 0.622311
O -2.925963 1.004975 -1.412906
N -2.854682 -0.575206 0.235651
C 3.448821 -0.906401 -1.228464
C 1.417241 0.291262 0.261826
C 2.444409 -1.366659 -2.275627
C 4.667823 -1.819947 -1.166126
C 0.119869 -0.112582 -0.059186
C -0.901842 0.839836 -0.142114
C 1.692929 1.634227 0.527601
C -4.238539 -1.075946 -0.019981
C -2.302456 0.454182 -0.518931
C -0.620810 2.195668 0.088395
C 0.674807 2.589584 0.432586
C -5.102417 -0.835796 1.222255
C -4.176767 -2.562743 -0.383823
H 3.797459 0.124734 -1.490175
H 2.926849 -1.482810 -3.256835
H 2.009316 -2.347565 -2.027522
H 1.622430 -0.653247 -2.413555
H 5.210678 -1.822828 -2.120268
H 4.393987 -2.864217 -0.954581
H 5.381515 -1.500358 -0.390823
H -0.096232 -1.172795 -0.240676
H 2.702797 1.941799 0.822630
H -4.658933 -0.492793 -0.888369
H -1.419972 2.936565 -0.005393
H -2.345015 -1.005077 1.000878
H 0.891297 3.639222 0.629456
H -6.136312 -1.154838 1.045554
H -4.739406 -1.383979 2.098210
H -5.131479 0.228222 1.488444
H -3.549797 -2.732178 -1.268084
H -5.176211 -2.949396 -0.615107
H -3.771440 -3.177209 0.427503


%chk=000205662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205662

0 1
S 2.673949 -0.939280 0.403820
O 3.812843 -0.414385 1.460823
O 1.880858 -2.362882 0.617350
O -3.280295 1.500181 -0.625531
N -2.851825 -0.675294 0.081934
C 3.547227 -1.000082 -1.397939
C 1.334248 0.401281 0.293648
C 2.540296 -1.608441 -2.368234
C 4.843445 -1.780522 -1.189462
C 0.016659 -0.027010 0.079913
C -1.006528 0.953988 0.031852
C 1.700933 1.742568 0.488865
C -4.248813 -1.137791 -0.106290
C -2.464496 0.620414 -0.197951
C -0.661201 2.321886 0.181141
C 0.673706 2.714353 0.418228
C -5.119869 -0.780799 1.121725
C -4.249208 -2.649386 -0.407137
H 3.727430 0.076272 -1.569082
H 3.017390 -1.719915 -3.360196
H 2.227589 -2.609451 -2.021361
H 1.642587 -0.977956 -2.493559
H 5.448895 -1.730223 -2.113966
H 4.635839 -2.842326 -0.968939
H 5.434961 -1.355636 -0.360199
H -0.172454 -1.100243 -0.043251
H 2.738671 2.010792 0.713574
H -4.635949 -0.578930 -0.977881
H -1.467189 3.059555 0.111028
H -2.200959 -1.313760 0.544050
H 0.916668 3.772680 0.557482
H -6.170379 -1.075837 0.945466
H -4.761410 -1.304545 2.027557
H -5.092418 0.306577 1.305112
H -3.647673 -2.879436 -1.304407
H -5.281002 -3.000289 -0.583335
H -3.843025 -3.228032 0.445552


