%chk=000106584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106584

0 1
 S  -0.1940000       1.784400      0.3612000    
 S   -5.466200      0.9525000      8.8500001E-02
 O   0.5260000       1.862500      -1.100400    
 O   -5.811400       1.311100      -1.468800    
 O  -0.8413000       3.062200      0.5941000    
 O   0.7539000       1.236200       1.312300    
 O   -6.385100     -0.1004000      0.4954000    
 O   -5.390600       2.199800      0.8331000    
 N    1.209600     -0.6236000      0.1106000    
 N    2.132300      -1.186700     -0.5221000    
 N    6.854700       1.787500     -5.5000000E-02
 C   -1.264300     -0.8033000      8.0000004E-03
 C   -2.388200      -1.651600     -0.1330000    
 C   -1.462000      0.5774000      0.1715000    
 C   -3.854900      0.2799000      5.7700001E-02
 C   -3.677000      -1.094100     -0.1063000    
 C   -2.749400       1.114100      0.1962000    
 C   2.4499999E-02  -1.360700     -1.8600000E-02
 C   -2.190400      -3.032200     -0.2966000    
 C   0.2025000      -2.734800     -0.1816000    
 C  -0.9028000      -3.568900     -0.3205000    
 C    3.320300     -0.4472000     -0.3925000    
 C    4.206000     -0.7059000      0.6501000    
 C    5.381200      3.6899999E-02  0.7626000    
 C    3.601200      0.5491000      -1.323600    
 C    5.666500       1.035900     -0.1682000    
 C    4.776500       1.291800      -1.211500    
 C    3.922500      -1.771900       1.657600    
 H   -4.540400      -1.746100     -0.2226000    
 H   -2.925700       2.178800      0.3055000    
 H   -3.039600      -3.703700     -0.4050000    
 H    1.173900      -3.224000     -0.1714000    
 H  -0.7650000      -4.639800     -0.4390000    
 H  -5.4000001E-02   2.150400      -1.844100    
 H    6.077600     -0.1588000       1.575000    
 H    2.918200      0.7517000      -2.144200    
 H   -5.823800      0.5428000      -2.086800    
 H    4.988100       2.066500      -1.944000    
 H    3.719300      -2.727200       1.162100    
 H    4.772400      -1.933500       2.329600    
 H    3.061200      -1.494300       2.273800    
 H    7.500300       1.603200      0.7012000    
 H    7.061400       2.512100     -0.7295000    


%chk=000106584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106584

0 1
S -0.552036 1.437475 1.602726
S -5.824644 0.403208 0.264192
O 0.678122 1.798483 0.421397
O -5.770060 1.520252 -1.216205
O -1.410636 2.759474 1.962663
O 0.064728 0.530872 2.805224
O -6.769529 -0.869756 -0.056908
O -6.081775 1.316366 1.573569
N 1.202642 -0.573627 -0.147844
N 2.312598 -1.005841 -0.723777
N 7.471950 1.198208 -0.572353
C -1.301740 -0.927654 -0.082499
C -2.398118 -1.782329 -0.544625
C -1.711524 0.285668 0.579472
C -4.031150 -0.126450 0.144924
C -3.759038 -1.352184 -0.429688
C -3.031914 0.711998 0.684922
C 0.047647 -1.399428 -0.369035
C -2.145875 -3.065966 -1.123908
C 0.242501 -2.691368 -0.904334
C -0.838555 -3.527308 -1.270450
C 3.542532 -0.384219 -0.524425
C 4.004537 0.425309 0.592015
C 5.321933 0.910372 0.540881
C 4.469544 -0.708722 -1.578757
C 6.200587 0.661308 -0.556967
C 5.754926 -0.184024 -1.625571
C 3.185155 0.700485 1.829341
H -4.571800 -1.993285 -0.787728
H -3.267070 1.651845 1.201113
H -2.998671 -3.677116 -1.438006
H 1.271956 -3.019691 -1.063147
H -0.639976 -4.520702 -1.684023
H 1.032939 0.670710 0.172787
H 5.690646 1.501125 1.388706
H 4.102331 -1.368411 -2.371037
H -6.576482 2.112950 -1.175493
H 6.425815 -0.419373 -2.458949
H 2.471868 -0.105399 2.070099
H 3.842369 0.860213 2.700632
H 2.563723 1.605397 1.696356
H 7.796598 1.798066 0.182885
H 8.106944 1.021167 -1.347373


