%chk=000284399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284399

0 1
S 0.128243 1.427328 -0.794440
O 0.626033 2.340757 0.228724
O -0.054395 1.947662 -2.141403
O 3.470647 1.775073 -1.077259
O 4.054161 1.590148 1.076707
C 0.704274 -1.303627 -1.159346
C 1.339531 0.099437 -0.964255
C -0.692997 -1.154627 -1.822038
C -1.679749 -0.530433 -0.877821
C -1.346084 0.704969 -0.289359
C 0.544572 -2.059967 0.146813
C 2.289180 0.161817 0.184296
C 1.607408 -2.147171 -2.079467
C 1.261777 -1.782821 1.249392
C 2.245516 -0.693195 1.224678
C -2.243505 1.314314 0.601650
C -2.883791 -1.163461 -0.580495
C -3.781059 -0.558071 0.321486
C 3.331041 1.225979 0.178764
C -3.456466 0.668125 0.907427
C 1.123060 -2.536299 2.530265
C -1.961667 2.638107 1.216818
C -5.076077 -1.232151 0.632659
H 1.919074 0.337159 -1.908245
H -1.044266 -2.145759 -2.173417
H -0.621151 -0.548331 -2.755996
H -0.181728 -2.869440 0.123342
H 2.621028 -2.225892 -1.665475
H 1.228866 -3.168010 -2.198129
H 1.696402 -1.709513 -3.080044
H 2.935166 -0.605817 2.069958
H -3.137989 -2.113943 -1.039436
H -4.150035 1.138031 1.600888
H 2.063142 -3.036990 2.804306
H 0.344987 -3.309676 2.486372
H 0.859405 -1.862674 3.360058
H -0.919745 2.717887 1.599421
H -2.052277 3.453703 0.479905
H -2.626678 2.883458 2.052936
H -5.614490 -0.762129 1.466768
H -5.749315 -1.206592 -0.238462
H -4.932669 -2.289647 0.896909
H 4.108121 2.539882 -1.086554


%chk=000284399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284399

0 1
S 0.171355 1.596015 -0.724996
O 0.713267 2.518380 0.518994
O -0.029986 2.266878 -2.211211
O 3.487349 1.866489 -1.097114
O 4.361031 1.350804 1.000029
C 0.736618 -1.357419 -1.139056
C 1.518315 -0.037678 -1.011753
C -0.671624 -1.117502 -1.793712
C -1.691707 -0.487923 -0.858244
C -1.468551 0.772223 -0.254173
C 0.594026 -2.081037 0.191041
C 2.487869 0.064205 0.092975
C 1.562693 -2.280394 -2.102766
C 1.386358 -1.826862 1.282604
C 2.399400 -0.776044 1.184299
C -2.392500 1.412499 0.603551
C -2.903128 -1.148538 -0.556460
C -3.867309 -0.567898 0.305557
C 3.526309 1.126263 0.091572
C -3.593057 0.701046 0.868371
C 1.269872 -2.598462 2.582413
C -2.175282 2.786311 1.206005
C -5.173923 -1.283533 0.597123
H 1.869781 0.350962 -1.979999
H -1.058513 -2.090141 -2.147769
H -0.525933 -0.474373 -2.684934
H -0.159574 -2.879090 0.234598
H 2.593169 -2.418841 -1.732536
H 1.086545 -3.274505 -2.181877
H 1.608844 -1.833151 -3.113207
H 3.113352 -0.632799 2.005613
H -3.099424 -2.128876 -1.009341
H -4.335980 1.166974 1.527184
H 2.224104 -3.098120 2.836318
H 0.482805 -3.369345 2.528722
H 1.027843 -1.921003 3.422846
H -1.273385 2.809893 1.840826
H -2.007744 3.545734 0.420696
H -3.053489 3.088271 1.800409
H -5.721337 -0.806135 1.427317
H -5.837348 -1.274492 -0.288822
H -5.004147 -2.342391 0.864760
H 4.118539 2.631205 -1.036952


