%chk=000033281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033281

1 1
 S   -2.971400      -1.308800       1.872900    
 O  -0.3030000     -0.7898000       1.353200    
 O   -1.221700      -2.071700      -1.533100    
 N    4.080500     -0.3621000      0.6861000    
 N   0.9409000      -1.287400      -1.199800    
 C    3.020500      -1.285500      0.1028000    
 C    1.946300     -0.4639000     -0.5853000    
 C    3.433400      0.5858000       1.685500    
 C    5.144300      -1.192400       1.389900    
 C    4.723900      0.4431000     -0.4336000    
 C   -1.007100     -0.3752000      0.1747000    
 C  -0.4518000      -1.314000     -0.9281000    
 C    1.439400      -2.203100      -2.237000    
 C  -0.7736000       1.116800     -7.3500000E-02
 C   -2.517300     -0.6366000      0.4029000    
 C  -0.5239000       1.932800       1.005700    
 C  -0.8227000       1.585000      -1.366300    
 C   -3.500300     -0.3780000     -0.4625000    
 C   -4.751400     -0.7553000      0.1052000    
 C  -0.3115000       3.292800      0.7796000    
 C  -0.6102000       2.944900      -1.592500    
 C   -4.608600      -1.276100       1.372400    
 C  -0.3547000       3.798700     -0.5194000    
 H    3.535300      -1.966100     -0.5842000    
 H    2.601300      -1.877700      0.9253000    
 H    1.515500      0.2723000      7.1000002E-02
 H    2.366800      0.1121000      -1.416600    
 H    2.805900      5.5999998E-03   2.368300    
 H    4.233400       1.079000       2.247600    
 H    2.857800       1.354700       1.164800    
 H    5.596500      -1.867400      0.6572000    
 H    5.900100     -0.5175000       1.802500    
 H    4.663600      -1.761500       2.191200    
 H    5.029500     -0.2421000      -1.229800    
 H    4.028300       1.200000     -0.8038000    
 H    5.602500      0.9504000     -2.1700000E-02
 H    2.180200      -1.690600      -2.858100    
 H   0.6318000      -2.553600      -2.885200    
 H    1.891300      -3.072600      -1.751600    
 H   0.4800000     -0.2493000       1.527400    
 H  -0.5101000       1.573500       2.029500    
 H   -1.028100      0.9399000      -2.214300    
 H   -3.387100      4.6300001E-02  -1.451000    
 H   -5.707600     -0.6515000     -0.3913000    
 H  -0.1183000       3.958900       1.615500    
 H  -0.6458000       3.339400      -2.603800    
 H   -5.387400      -1.639400       2.028100    
 H  -0.1909000       4.857900     -0.6953000    


%chk=000033281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033281

1 1
S -2.553092 -2.484126 0.818877
O 0.186817 -0.678412 1.156913
O -1.062309 -1.955681 -1.881659
N 3.930577 -0.381777 0.921655
N 1.102455 -1.174249 -1.600333
C 2.938984 -1.183455 0.040191
C 2.115260 -0.329475 -0.953719
C 3.194682 0.725990 1.682315
C 4.540336 -1.353224 1.933193
C 5.047722 0.222669 0.075994
C -0.740846 -0.381533 -0.007376
C -0.247950 -1.246173 -1.229015
C 1.543325 -1.946541 -2.785111
C -0.667084 1.119284 -0.347010
C -2.144929 -0.757976 0.403796
C -0.341314 2.071146 0.650163
C -1.000381 1.564267 -1.651646
C -3.239053 0.067616 0.626425
C -4.400438 -0.621491 1.128528
C -0.326735 3.450838 0.341715
C -0.984553 2.942889 -1.958084
C -4.198420 -1.979179 1.310938
C -0.643511 3.890685 -0.964645
H 3.541397 -1.947151 -0.481881
H 2.226135 -1.663176 0.729674
H 1.617895 0.500249 -0.430789
H 2.758024 0.100121 -1.745972
H 2.245195 0.318723 2.061774
H 3.839334 1.075171 2.503653
H 2.978808 1.560977 1.000351
H 4.999095 -2.195786 1.393701
H 5.304485 -0.826782 2.525744
H 3.743382 -1.724706 2.594602
H 5.590405 -0.586901 -0.436144
H 4.614885 0.909841 -0.664717
H 5.735365 0.776095 0.734267
H 1.936572 -1.266058 -3.563229
H 0.672555 -2.485169 -3.186618
H 2.323707 -2.683937 -2.519871
H -0.379793 -1.105843 1.852206
H -0.119857 1.727643 1.666079
H -1.293803 0.838840 -2.419498
H -3.218056 1.141787 0.431625
H -5.349115 -0.126587 1.346229
H -0.087852 4.181322 1.122525
H -1.249172 3.277485 -2.966654
H -4.895428 -2.737187 1.664715
H -0.639206 4.959639 -1.202375


