%chk=000117907.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117907

0 1
 S   -4.779400       2.483000     -0.5785000    
 S   -3.518800       1.557300       2.551500    
 P   -3.235400       1.638200      0.6142000    
 O   -2.841600      0.1846000     -1.9400001E-02
 O   -1.861900       2.460900      0.2916000    
 C   0.1035000      -4.190000      4.0100001E-02
 C    3.251000       1.165700      0.3569000    
 C   -1.197900      -3.724800     -0.6238000    
 C    2.375700       2.236200     -0.3052000    
 C    1.214300      -3.129600      0.1600000    
 C    4.746100       1.509700      0.4947000    
 C   -1.843800      -2.525300      7.2099999E-02
 C   0.8920000       1.866500     -0.3560000    
 C   -3.136700      -2.109700     -0.6283000    
 C   7.0799999E-02   2.965100      -1.029300    
 C    2.452000      -3.659500      0.8846000    
 C    1.605300      -2.631900      -1.234600    
 C    5.349800       1.751600     -0.8917000    
 C    5.533100      0.4154000       1.216600    
 C   -3.765100     -0.8898000      3.0600000E-02
 C   -1.413100       2.626500      -1.046300    
 H  -0.1366000      -4.556700       1.046600    
 H   0.4845000      -5.056700     -0.5155000    
 H    2.851000      0.9653000       1.359600    
 H    3.146500      0.2286000     -0.2043000    
 H   -1.016100      -3.491400      -1.679100    
 H   -1.904000      -4.564900     -0.6163000    
 H    2.718700       2.411000      -1.330900    
 H    2.496700       3.181100      0.2386000    
 H   0.8482000      -2.277400      0.7436000    
 H    4.840500       2.434200       1.078000    
 H   -2.051600      -2.773600       1.119700    
 H   -1.148900      -1.679400      6.9600001E-02
 H   0.7662000      0.9240000     -0.9030000    
 H   0.5347000       1.694700      0.6662000    
 H   -3.853200      -2.938800     -0.6208000    
 H   -2.911900      -1.873900      -1.675800    
 H   0.2171000       3.903000     -0.4794000    
 H   0.4208000       3.124100      -2.055500    
 H    2.192600      -3.999800       1.892500    
 H    3.213900      -2.878600      0.9801000    
 H    2.895600      -4.503700      0.3459000    
 H    2.454600      -1.942900      -1.175800    
 H   0.7856000      -2.086500      -1.711900    
 H    1.894400      -3.461800      -1.888400    
 H    5.183300      0.8965000      -1.555700    
 H    6.431100       1.913400     -0.8185000    
 H    4.928500       2.643700      -1.364500    
 H    5.488800     -0.5318000      0.6685000    
 H    6.585600      0.6971000       1.325900    
 H    5.125800      0.2452000       2.218600    
 H   -4.678900     -0.6109000     -0.5023000    
 H   -4.021300      -1.114000       1.070400    
 H   -1.973500       3.445100      -1.507700    
 H   -1.588700       1.713200      -1.623600    
 H   -4.802200       3.696300     -8.0000004E-03


%chk=000117907-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117907

0 1
S -4.936133 2.544673 -0.940324
S -3.870656 1.877995 2.598729
P -3.375456 1.779892 0.609898
O -3.049201 0.235153 -0.111628
O -1.896417 2.568388 0.232895
C 0.234856 -4.021797 0.044570
C 3.261760 1.049029 0.401746
C -1.167301 -3.665512 -0.509388
C 2.438001 2.150887 -0.302936
C 1.326103 -2.923951 -0.101063
C 4.764993 1.378076 0.605886
C -1.823878 -2.445055 0.173922
C 0.934844 1.804534 -0.385569
C -3.242565 -2.161343 -0.366931
C 0.104050 2.898680 -1.090278
C 2.648479 -3.402228 0.545021
C 1.557981 -2.525056 -1.578362
C 5.516765 1.535598 -0.738597
C 5.439885 0.291587 1.477065
C -3.903463 -0.930363 0.256023
C -1.386720 2.568869 -1.179188
H 0.138385 -4.278800 1.120540
H 0.599028 -4.940063 -0.463419
H 2.805030 0.847175 1.393416
H 3.179365 0.102736 -0.176414
H -1.105507 -3.484090 -1.601861
H -1.829648 -4.547696 -0.384304
H 2.829750 2.322175 -1.326231
H 2.563672 3.107850 0.246273
H 0.990963 -2.020577 0.450235
H 4.828229 2.344865 1.150876
H -1.871944 -2.618484 1.269434
H -1.203307 -1.542074 0.025330
H 0.809561 0.842045 -0.926153
H 0.530679 1.649650 0.633052
H -3.905313 -3.029552 -0.169382
H -3.207722 -2.032094 -1.466562
H 0.226023 3.865689 -0.564740
H 0.472611 3.048146 -2.126856
H 2.499930 -3.678822 1.605938
H 3.422251 -2.612061 0.505812
H 3.044279 -4.291217 0.015918
H 2.367099 -1.774754 -1.661102
H 0.651181 -2.090542 -2.037572
H 1.853015 -3.407888 -2.178773
H 5.445330 0.603450 -1.332899
H 6.589261 1.746240 -0.569176
H 5.105317 2.360009 -1.348308
H 5.399749 -0.693723 0.971783
H 6.503603 0.529583 1.664931
H 4.934554 0.189426 2.455837
H -4.920774 -0.761772 -0.146865
H -3.949665 -1.002998 1.360170
H -1.954799 3.334466 -1.738975
H -1.557646 1.572100 -1.625955
H -5.440765 3.507342 -0.078891


