%chk=000056294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056294

0 1
 S   -2.077700      0.2519000      4.7400001E-02
 O  -0.2048000      -2.871200      0.4583000    
 O    1.042500       1.658600       1.237000    
 O    3.449500       2.337500      0.6508000    
 O    4.623200      -2.607300      -1.002100    
 O    5.596800       3.006400      -1.098600    
 O   -4.647900       2.327600      -1.744200    
 O   -4.157900       3.366100      0.2107000    
 O   -6.723300      -1.064900      0.7561000    
 N   -5.253000      4.0500000E-02 -0.6713000    
 C    2.674500      0.1247000      0.3231000    
 C   0.4230000     -0.5918000      0.8512000    
 C    2.980900      -1.167000     -0.1081000    
 C    1.391200      0.4118000      0.8040000    
 C  -0.9495000     -0.2901000       1.364500    
 C   0.7305000      -1.880900      0.4200000    
 C    2.007700      -2.171700     -5.9900001E-02
 C    3.691200       1.194900      0.2783000    
 C    5.044300      0.8521000     -0.2388000    
 C   -3.556500      0.4999000       1.056000    
 C   -4.761400       1.018400      0.2670000    
 C    4.327300      -1.483100     -0.6162000    
 C    5.321500     -0.3912000     -0.6481000    
 C    6.061600       1.952100     -0.2760000    
 C   -4.484100       2.355400     -0.4000000    
 C   -6.196000     -0.9212000     -0.3438000    
 C   0.1970000      -4.159600     -2.4000001E-03
 C   -6.550600      -1.797900      -1.514900    
 H  -0.9095000      0.4816000       2.141700    
 H   -1.376000      -1.173200       1.854500    
 H    2.295600      -3.157800     -0.4066000    
 H   -3.810900     -0.4498000       1.539600    
 H   -3.307800       1.220700       1.843000    
 H   -5.577400       1.209200      0.9763000    
 H    6.305900     -0.6487000      -1.026600    
 H    7.028300       1.613600     -0.6638000    
 H    6.231600       2.347500      0.7308000    
 H   -4.875300      5.5900000E-02  -1.614600    
 H    1.784800       2.275600       1.158900    
 H  -0.6697000      -4.821200      0.1002000    
 H   0.9922000      -4.582900      0.6209000    
 H   0.4589000      -4.145900      -1.065900    
 H    5.484600       2.653900      -1.998100    
 H   -7.149700      -2.646100      -1.172500    
 H   -7.127300      -1.219900      -2.242200    
 H   -5.642300      -2.179600      -1.990000    
 H   -4.470600       3.201100      -2.153600    


%chk=000056294-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056294

0 1
S -2.099796 0.703263 -0.548454
O -0.458607 -1.866562 1.654462
O 1.173680 2.297910 -0.017230
O 3.594345 2.496010 -0.759476
O 4.566626 -2.755679 0.542038
O 6.020039 1.423394 -2.878568
O -5.435062 1.363971 1.447833
O -3.943913 -0.028699 2.552215
O -5.798423 -1.966694 -1.834162
N -5.316464 0.075126 -0.852380
C 2.724709 0.416008 0.068442
C 0.353827 0.206295 0.819709
C 2.948971 -0.947894 0.419999
C 1.421177 0.983560 0.284367
C -0.995017 0.830112 1.024710
C 0.624111 -1.151772 1.144831
C 1.911475 -1.725770 0.958454
C 3.789760 1.240311 -0.489698
C 5.130176 0.627456 -0.727033
C -3.090596 -0.869143 -0.167407
C -4.558086 -0.559406 0.227716
C 4.303673 -1.547591 0.229239
C 5.354308 -0.674282 -0.350192
C 6.191239 1.466891 -1.410468
C -4.592147 0.250200 1.520892
C -5.905033 -0.699567 -1.838531
C -0.242210 -3.253697 2.096561
C -6.672907 0.059538 -2.912647
H -0.900417 1.913464 1.188067
H -1.557993 0.361049 1.844111
H 2.134865 -2.764054 1.218568
H -3.094315 -1.482741 -1.081395
H -2.565576 -1.404919 0.638015
H -5.041371 -1.540401 0.427977
H 6.338898 -1.142120 -0.477369
H 7.203886 1.125339 -1.116319
H 6.062573 2.529921 -1.159541
H -5.421887 1.089969 -0.838625
H 2.057474 2.702615 -0.384069
H -1.216781 -3.579447 2.486583
H 0.517850 -3.298571 2.897864
H 0.060239 -3.896883 1.249846
H 6.113839 0.484323 -3.184576
H -6.208085 -0.134165 -3.894878
H -7.705100 -0.327669 -2.958012
H -6.704293 1.149202 -2.742367
H -5.408261 1.855797 2.312900


