%chk=000131581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131581

0 1
 S    1.741100      -1.406900      0.8739000    
 O   0.6685000     -0.9443000     -0.2742000    
 O   -5.332600     -0.7853000     -0.3101000    
 O  -0.4610000       1.385700     -1.6000000E-03
 O    2.093100      -2.798400      0.6667000    
 O    1.266100     -0.9220000       2.156400    
 N   -5.156600       1.919300      3.0800000E-02
 C   -5.181300       3.004500       1.009000    
 C   -5.095100       3.297300     -0.4514000    
 C   -4.017200       1.171500     -5.1800001E-02
 C   -4.210000     -0.2960000     -0.2379000    
 C   -2.779300       1.676100      2.1199999E-02
 C   -3.011200      -1.153700     -0.3332000    
 C   -1.732300     -0.6019000     -0.2540000    
 C   -1.559600      0.8488000     -7.3500000E-02
 C  -0.6048000      -1.426200     -0.3461000    
 C   -3.162700      -2.535000     -0.5056000    
 C  -0.7610000      -2.801600     -0.5176000    
 C   -2.037400      -3.355000     -0.5974000    
 C    3.202800     -0.4876000      0.4980000    
 C    5.493200      0.9518000     -9.0700001E-02
 C    3.382900      0.7603000       1.069700    
 C    4.141700      -1.032300     -0.3612000    
 C    6.727800       1.726500     -0.4068000    
 C    4.536900       1.485600      0.7731000    
 C    5.295700     -0.3071000     -0.6578000    
 C    6.552400       2.625800      -1.627800    
 H   -4.313500       3.131200       1.638800    
 H   -6.141600       3.107700       1.495200    
 H   -5.999700       3.600100     -0.9624000    
 H   -4.176300       3.657000     -0.8869000    
 H   -2.572900       2.731400      0.1689000    
 H   -4.146700      -2.991400     -0.5725000    
 H   9.2399999E-02  -3.463000     -0.6248000    
 H   -2.157000      -4.425400     -0.7386000    
 H    2.646600       1.197400       1.736900    
 H    4.003400      -2.005700     -0.8212000    
 H    7.017500       2.338100      0.4569000    
 H    7.566800       1.040500     -0.5778000    
 H    4.677500       2.467000       1.218500    
 H    6.031700     -0.7322000      -1.335100    
 H    6.306100       2.039400      -2.519400    
 H    7.477100       3.176400      -1.827300    
 H    5.749500       3.354100      -1.471200    


%chk=000131581-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131581

0 1
S 1.720771 -1.350989 0.999259
O 0.780683 -1.334455 -0.788459
O -5.263634 -0.416511 -0.161403
O -0.043195 1.309291 -0.303796
O 2.224377 -2.867596 1.289164
O 0.736732 -0.635960 2.070231
N -4.721546 2.293024 0.072220
C -5.904796 2.309318 0.949694
C -4.887875 3.468315 0.949791
C -3.677374 1.398592 -0.038845
C -4.049785 -0.046822 -0.223610
C -2.346814 1.781681 -0.068699
C -2.936245 -1.015963 -0.464053
C -1.566208 -0.603615 -0.475466
C -1.238008 0.855286 -0.281754
C -0.570605 -1.611388 -0.708603
C -3.298507 -2.369571 -0.669850
C -0.954725 -2.971122 -0.907336
C -2.308617 -3.348221 -0.897561
C 3.197863 -0.303265 0.518714
C 5.442812 1.231472 -0.105630
C 2.993154 1.041816 0.172074
C 4.455065 -0.930475 0.554894
C 6.659828 2.058769 -0.488554
C 4.142186 1.802320 -0.136090
C 5.580427 -0.138895 0.241682
C 6.950464 1.994024 -2.013454
H -5.911272 1.629258 1.808654
H -6.868658 2.434779 0.448004
H -5.143999 4.409827 0.453572
H -4.210349 3.556957 1.809240
H -2.064945 2.831430 0.068689
H -4.362030 -2.626458 -0.643562
H -0.154648 -3.700511 -1.068129
H -2.590342 -4.393950 -1.055577
H 1.982973 1.459330 0.118180
H 4.545682 -1.986786 0.825958
H 6.503886 3.114373 -0.196724
H 7.548946 1.699812 0.063307
H 4.020852 2.856598 -0.410791
H 6.577600 -0.593132 0.272482
H 7.142893 0.955062 -2.336305
H 7.836235 2.603859 -2.267386
H 6.091747 2.372992 -2.596076


