%chk=000160942.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160942

0 1
 S   -1.191600       2.024400      -1.188700    
 O  -0.3967000      -3.207200     -0.4324000    
 O  -0.3772000      0.2498000       1.930700    
 O    3.714000     -0.7078000      -1.834600    
 O    4.026900      0.5338000      4.3299999E-02
 O   -4.597700      -1.412200      -1.142700    
 O   -2.526000      -1.223200      -2.048400    
 O    1.243700       4.757400      0.1123000    
 O    1.552200       2.532400     -0.2337000    
 N   -1.401600      -1.337600      0.5520000    
 N   -3.088500       1.109100       2.304600    
 N    3.813300      -1.642900       1.648800    
 C    2.220900      -2.429000     -8.4299996E-02
 C    1.087600      -1.520300      0.4051000    
 C   -2.489300      0.8817000      0.9869000    
 C    3.619200      -1.873100      0.2179000    
 C  -0.2899000      -2.114200      0.1305000    
 C   -1.313800     -8.3300002E-02   1.198600    
 C   -2.715200      -1.909500      0.2510000    
 C   -2.010200       2.227000      0.4265000    
 C    3.810700     -0.5457000     -0.4886000    
 C   -3.247100      -1.482800      -1.092900    
 C  -0.3450000       3.619100      -1.248300    
 C   0.9015000       3.554000     -0.4136000    
 H    2.109100      -2.597800      -1.162900    
 H    2.122200      -3.416200      0.3870000    
 H    1.143500     -0.5409000     -8.0700003E-02
 H    1.187700      -1.401800       1.487800    
 H   -3.265500      0.5026000      0.3278000    
 H    4.389600      -2.567100     -0.1362000    
 H   -1.302700       2.690600       1.123900    
 H   -2.855500       2.912700      0.2996000    
 H   -2.670400      -3.003800      0.2588000    
 H   -3.419300      -1.607600       1.033800    
 H   -3.498900      0.2413000       2.647600    
 H   -3.857700       1.772800       2.221400    
 H    3.678500      -2.516900       2.155700    
 H    4.777000      -1.359300       1.822400    
 H   -1.011800       4.408600     -0.8899000    
 H  -5.6000002E-02   3.842000      -2.279200    
 H    3.834800      0.1394000      -2.314000    
 H   -4.918200      -1.130800      -2.026100    
 H    2.062600       4.702300      0.6495000    


%chk=000160942-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160942

0 1
S -1.386950 2.711910 -1.283599
O -0.535891 -3.291384 0.237924
O -0.391186 0.644095 1.640804
O 3.119924 0.113729 -1.604756
O 3.429510 0.826385 0.576166
O -4.257512 -2.778094 -1.178295
O -2.650044 -1.298387 -1.977108
O 1.823172 2.817978 0.426332
O 1.892427 2.318071 -1.839013
N -1.469282 -1.204869 0.669557
N -3.562305 0.920811 1.811404
N 3.968428 -1.679738 1.473438
C 2.144063 -2.245097 -0.177012
C 1.053979 -1.455511 0.567844
C -2.597918 1.068848 0.695459
C 3.546761 -1.573579 0.079651
C -0.322787 -2.076772 0.493565
C -1.386084 0.159414 1.035474
C -2.785917 -1.833110 0.448007
C -2.108039 2.524233 0.472421
C 3.400543 -0.101936 -0.306935
C -3.170149 -1.912780 -1.024637
C 0.153424 3.802762 -1.000090
C 1.372269 2.924393 -0.840639
H 1.940084 -2.268534 -1.262455
H 2.193605 -3.283472 0.191624
H 0.994098 -0.422941 0.186208
H 1.349092 -1.352992 1.631534
H -3.083738 0.703506 -0.227117
H 4.267889 -2.039673 -0.623124
H -1.314762 2.768129 1.198447
H -2.954246 3.225593 0.566055
H -2.755816 -2.861089 0.844479
H -3.551839 -1.264426 1.009380
H -3.177132 1.173210 2.728109
H -4.479187 1.345897 1.641233
H 4.616921 -2.428886 1.704769
H 4.107046 -0.792170 1.959590
H -0.006621 4.437693 -0.118282
H 0.240571 4.412152 -1.911682
H 2.722649 1.081012 -1.785450
H -4.510237 -2.825684 -2.139848
H 2.570385 2.081304 0.536870


