%chk=000091801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091801

0 1
 S   -5.294000     -0.5743000     -0.7334000    
 S    5.339100      -3.634100      0.3950000    
 S    5.732200       4.212200     -0.1064000    
 S   -9.348900       1.046500      0.6773000    
 O   -7.743600      0.7554000      0.5802000    
 O   -5.820400      -1.848500      -1.203500    
 O   -5.713200      0.6623000      -1.377400    
 O    5.030600      -4.354300      -1.038200    
 O    6.004100       4.669700       1.439400    
 O    6.767300      -3.366000      0.4407000    
 O    4.691100      -4.406800       1.441100    
 O    7.023600       3.860300     -0.6784000    
 O    4.892500       5.220200     -0.7347000    
 O   -9.567300       2.322400     -0.3154000    
 O   -9.669700       1.471400       2.027200    
 O   -10.03500     -8.8200003E-02  8.7899998E-02
 N    1.082900     -0.7225000      0.3127000    
 N    2.342700      -3.194800      0.4393000    
 N   0.6353000     -0.7814000     -0.8537000    
 C    3.241700      0.4100000      0.1908000    
 C    4.654400      0.3296000      0.1625000    
 C    2.488300     -0.7716000      0.2826000    
 C    4.507900      -2.093800      0.3176000    
 C    3.118700      -2.014800      0.3455000    
 C    5.272100     -0.9301000      0.2267000    
 C    5.408000       1.511100      7.0799999E-02
 C   -5.695900     -0.4539000      0.9950000    
 C    4.777900       2.754300      8.1000002E-03
 C    2.624300       1.669800      0.1268000    
 C   -3.549400     -0.6351000     -0.7695000    
 C    3.388700       2.833500      3.6100000E-02
 C   -7.194200     -0.3898000       1.219200    
 C   -2.811700      0.5455000     -0.8585000    
 C   -2.893400      -1.864400     -0.7079000    
 C  -0.7690000     -0.7326000     -0.8242000    
 C   -1.417900      0.4966000     -0.8860000    
 C   -1.499600      -1.913400     -0.7352000    
 H    6.358300     -0.9786000      0.2015000    
 H    6.494300       1.449500      5.6600001E-02
 H   -5.268700      -1.323900       1.501800    
 H   -5.217100      0.4585000       1.365200    
 H    1.543000       1.778300      0.1542000    
 H    2.876300       3.790800     -2.0999999E-03
 H   -7.678600      -1.288100      0.8214000    
 H   -7.402800     -0.3317000       2.292800    
 H   -3.301200       1.514300     -0.9006000    
 H   -3.448000      -2.795400     -0.6317000    
 H  -0.8515000       1.421200     -0.9562000    
 H  -0.9966000      -2.875400     -0.6868000    
 H    1.333700      -3.122400      0.4557000    
 H    2.774300      -4.107500      0.4619000    
 H    5.364600      -3.875400      -1.833000    
 H    6.512300       4.026500       1.987500    
 H   -8.930000       3.064900     -0.1938000    


%chk=000091801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091801

0 1
S -5.640170 0.534360 0.345374
S 5.158055 -3.027917 2.648511
S 6.480596 2.735971 -2.737508
S -9.389017 -1.135409 0.783022
O -8.277071 -1.438393 -0.753948
O -6.136788 2.080857 0.464073
O -5.999927 -0.582290 1.523171
O 4.924123 -4.367426 1.395077
O 6.651668 4.159333 -1.557254
O 6.733682 -2.767642 2.867899
O 4.196370 -3.355953 3.920385
O 7.882435 1.932243 -2.805501
O 5.760650 3.269964 -4.083848
O -8.264543 -1.598544 2.036324
O -10.549317 -2.225346 0.723868
O -9.699525 0.449816 0.789793
N 1.087043 -0.355223 0.759461
N 2.140554 -2.125664 2.409503
N 0.438410 0.577145 0.091055
C 3.396869 0.343714 -0.133600
C 4.819755 0.071303 -0.047050
C 2.481261 -0.424971 0.691862
C 4.412582 -1.673221 1.598471
C 2.989318 -1.446819 1.594295
C 5.302238 -0.958887 0.822053
C 5.752924 0.811087 -0.833498
C -6.286614 -0.147611 -1.372565
C 5.260031 1.788026 -1.686447
C 2.964388 1.367807 -1.041348
C -3.761014 0.490678 0.256382
C 3.883827 2.087549 -1.813616
C -7.810715 -0.215809 -1.410866
C -3.095702 -0.686810 0.645912
C -3.108234 1.667763 -0.149726
C -0.984609 0.480147 0.192945
C -1.689572 -0.688566 0.606968
C -1.700302 1.648092 -0.191938
H 6.375826 -1.174147 0.878768
H 6.826608 0.601106 -0.776102
H -5.870485 0.585520 -2.083976
H -5.809975 -1.135636 -1.468577
H 1.897101 1.580266 -1.108864
H 3.553025 2.858782 -2.516090
H -8.282392 0.688718 -0.968087
H -8.126312 -0.273301 -2.471862
H -3.664101 -1.556027 0.991794
H -3.679158 2.569594 -0.394057
H -1.125753 -1.583968 0.882310
H -1.134119 2.531530 -0.501876
H 1.150917 -1.878815 2.332720
H 2.496628 -2.777943 3.119628
H 5.301303 -5.217103 1.769534
H 7.252940 4.839143 -1.981253
H -7.323214 -1.125071 1.842799


