%chk=000055526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055526

0 1
 S   -1.237200       3.713600      0.8953000    
 O   -1.074800      -1.237900      7.6000001E-03
 O   -2.528600       1.193700      0.5534000    
 O  -0.1360000       2.501100       1.205200    
 O   -2.936100       1.400400      -1.717700    
 N   -1.855800       3.115400     -0.5856000    
 C  -0.7895000      -2.602600     -0.4154000    
 C   -2.005200      -3.495000     -7.2099999E-02
 C   -3.027700      -2.454000      0.1769000    
 C   -2.426100      -1.208300      0.2309000    
 C   0.4634000      -3.064300      0.3304000    
 C  -0.5180000      -2.574600      -1.924900    
 C   -4.387300      -2.594900      0.3892000    
 C   -3.146400     -5.9599999E-02  0.4968000    
 C    4.224100      0.3424000      0.4832000    
 C    5.593300      0.3811000     -0.2017000    
 C    3.334600       1.537500      0.1329000    
 C    6.510400     -0.7743000      0.2052000    
 C   -5.138000      -1.446000      0.6511000    
 C   -4.520900     -0.1857000      0.7054000    
 C    1.992900       1.460300      0.8601000    
 C    7.886000     -0.6462000     -0.4511000    
 C    1.083900       2.622900      0.4871000    
 C    8.815000      -1.770300     -2.1199999E-02
 C   -2.478800       1.866400     -0.6742000    
 C   -1.697300       3.978800      -1.746700    
 H   -2.279300      -4.168400     -0.8897000    
 H   -1.844500      -4.079800      0.8402000    
 H   0.7385000      -4.088600      5.9400000E-02
 H   0.3098000      -3.019200       1.414700    
 H    1.311800      -2.405400      0.1129000    
 H   -1.390800      -2.206500      -2.476200    
 H  -0.2627000      -3.568900      -2.305200    
 H   0.3054000      -1.889900      -2.158400    
 H   -4.862800      -3.569300      0.3592000    
 H    3.711500     -0.5871000      0.2060000    
 H    4.370000      0.3110000       1.570200    
 H    6.083900       1.331700      4.2100001E-02
 H    5.452100      0.3681000      -1.289500    
 H    3.846900       2.468700      0.4028000    
 H    3.168100       1.561400     -0.9508000    
 H    6.048900      -1.727400     -7.9800002E-02
 H    6.624100     -0.7832000       1.296000    
 H   -6.208300      -1.527500      0.8200000    
 H   -5.124000      0.6941000      0.9148000    
 H    2.149400       1.453300       1.946000    
 H    1.486300      0.5159000      0.6241000    
 H    7.780400     -0.6618000      -1.542000    
 H    8.339600      0.3150000     -0.1824000    
 H    1.572000       3.571700      0.7429000    
 H   0.8947000       2.601300     -0.5928000    
 H    8.405600      -2.746100     -0.3016000    
 H    9.791500      -1.660200     -0.5030000    
 H    8.968000      -1.760200       1.062700    
 H   -2.234900       4.916400      -1.574200    
 H   -2.100700       3.505000      -2.645700    
 H  -0.6345000       4.184900      -1.906800    


%chk=000055526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055526

0 1
S -0.974212 3.118792 0.887696
O -2.123631 -1.591492 -0.494429
O -2.987489 1.054195 0.535823
O 0.450080 2.005622 1.182708
O -3.045588 1.080458 -1.823361
N -1.678804 2.566354 -0.641208
C -2.193906 -3.007803 -1.092479
C -3.386758 -3.689501 -0.338011
C -4.161336 -2.513941 0.240934
C -3.355335 -1.358326 0.115901
C -0.830600 -3.649836 -0.824460
C -2.488412 -2.819142 -2.590580
C -5.415542 -2.441630 0.869944
C -3.803938 -0.113067 0.594508
C 5.217234 0.648089 0.765957
C 6.594601 0.868849 0.101215
C 4.131801 1.626529 0.262123
C 7.677570 -0.113413 0.602270
C -5.861127 -1.190710 1.371663
C -5.058687 -0.034321 1.232825
C 2.763259 1.395822 0.946935
C 9.057766 0.108064 -0.057766
C 1.687502 2.363005 0.439212
C 10.133133 -0.877599 0.448521
C -2.601674 1.511560 -0.735942
C -1.208239 3.136227 -1.928365
H -3.991302 -4.303044 -1.029357
H -3.017097 -4.353053 0.467745
H -0.810122 -4.681418 -1.221356
H -0.622349 -3.684491 0.258653
H -0.027516 -3.072469 -1.314256
H -3.460121 -2.315729 -2.735886
H -2.514781 -3.798565 -3.103787
H -1.708484 -2.194520 -3.057807
H -6.040934 -3.334718 0.976621
H 4.883306 -0.394168 0.581681
H 5.320260 0.751452 1.866191
H 6.930113 1.910403 0.289120
H 6.491513 0.769378 -0.999848
H 4.467852 2.669154 0.441378
H 4.022885 1.516355 -0.837118
H 7.345041 -1.155471 0.411943
H 7.779973 -0.017034 1.703604
H -6.834787 -1.113364 1.865835
H -5.392652 0.937045 1.610477
H 2.863520 1.517806 2.042461
H 2.420083 0.358973 0.767798
H 8.954492 0.011953 -1.158088
H 9.389424 1.149257 0.133204
H 1.963463 3.418335 0.639806
H 1.523529 2.232977 -0.650560
H 9.839439 -1.924435 0.242941
H 11.109614 -0.698881 -0.038260
H 10.277061 -0.779465 1.541234
H -0.653379 4.061450 -1.712472
H -2.073544 3.360190 -2.574012
H -0.556266 2.422214 -2.463516


