%chk=000056981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056981

0 1
 S    4.464000       1.036300      2.9000000E-03
 S   -3.115100       1.334000     -0.6273000    
 O    5.570100      0.1602000      0.8174000    
 O    4.287800       2.310300      0.6659000    
 O    4.733100      0.9362000      -1.415400    
 O    3.400600      -2.342100      0.5819000    
 O   0.5291000      -1.136600      0.8479000    
 O    3.215000      -1.514700      -1.519700    
 N  -0.6171000      0.6567000     -0.1535000    
 N   -3.776100     -0.8656000      0.5083000    
 N   -2.393400     -0.8241000      0.5508000    
 C    3.058500      1.0300000E-02  0.3767000    
 C    1.776300      0.7034000     -8.8000000E-02
 C   -5.717200      0.4607000     -0.2834000    
 C   0.5014000     -5.3900000E-02  0.2732000    
 C    3.222600      -1.332600     -0.3095000    
 C   -4.278600      0.1991000     -7.9499997E-02
 C   -6.506100      0.5917000       1.041300    
 C   -6.405900     -0.5909000      -1.185800    
 C   -1.948900      0.2617000     -4.1999999E-03
 H    3.031100     -0.1216000       1.464400    
 H    1.787600      0.8408000      -1.177100    
 H    1.705300       1.701000      0.3634000    
 H   -5.840500       1.423000     -0.8000000    
 H  -0.4867000       1.549400     -0.6225000    
 H   -6.480800     -0.3451000       1.609100    
 H   -7.553000      0.8477000      0.8477000    
 H   -6.074200       1.376900       1.671500    
 H   -5.901900     -0.6558000      -2.156300    
 H   -7.453500     -0.3261000      -1.362900    
 H   -6.375900      -1.584800     -0.7258000    
 H    5.515400      0.2147000       1.800500    
 H    3.513600      -3.208100      0.1353000    


%chk=000056981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056981

0 1
S 4.096674 0.374614 1.511479
S -2.977606 -0.142879 0.274423
O 5.204546 0.544994 0.031854
O 4.753893 -0.633097 2.579877
O 3.641387 1.852750 1.991646
O 3.842178 -2.396596 -0.038220
O -0.162298 -0.569506 0.860632
O 3.003544 -1.185166 -1.845061
N -0.611255 1.105472 -0.696580
N -4.094715 1.615606 -1.424490
N -2.704597 1.833456 -1.522790
C 2.598857 -0.422530 0.454537
C 1.731965 0.711402 -0.067820
C -5.843667 0.228445 -0.272691
C 0.249361 0.335618 0.080448
C 3.166047 -1.334866 -0.617264
C -4.428995 0.656673 -0.566495
C -6.218871 0.491431 1.210654
C -6.081597 -1.254328 -0.663691
C -2.006998 1.020636 -0.723594
H 2.087958 -1.011543 1.240214
H 1.990647 0.928709 -1.118819
H 1.914701 1.630573 0.529212
H -6.477247 0.869207 -0.914991
H -0.228548 1.816589 -1.328375
H -5.613004 -0.134146 1.892157
H -7.282738 0.244579 1.377054
H -6.061105 1.549733 1.482116
H -5.829907 -1.433964 -1.723360
H -7.143466 -1.517129 -0.508442
H -5.468615 -1.933736 -0.042770
H 6.102748 0.853919 0.344689
H 4.237323 -2.982821 -0.738239


