%chk=000103726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103726

1 1
 S   -3.055200      -2.473600       1.210500    
 S  -0.4002000       4.201800     -7.8100003E-02
 S    1.710300      2.0400001E-02  6.4400002E-02
 O   0.4345000       4.997200      -1.231800    
 O   0.5289000       3.746400      0.9401000    
 O   -1.579100       4.977400      0.2626000    
 N   -2.680400     -0.4581000     -0.2341000    
 N    3.705400      -1.724700     -0.3156000    
 C   -2.032600      0.5559000      -1.039700    
 C   -1.574000       1.755800     -0.2157000    
 C   -4.036800     -0.4636000      6.9999998E-04
 C   -2.035100      -1.440300      0.3290000    
 C  -0.8929000       2.821400      -1.061700    
 C   -4.440000      -1.527300      0.7982000    
 C  -0.6292000      -1.662100      0.2397000    
 C    2.315100      -1.606200     -0.3652000    
 C    4.320600     -0.5168000      6.5600000E-02
 C   -4.966600      0.4693000     -0.4800000    
 C  -3.9000001E-02  -2.391200     -0.7316000    
 C    4.514700      -2.893200     -0.6029000    
 C    3.408700      0.5342000      0.3122000    
 C    1.413700      -2.546600     -0.6889000    
 C   -5.786400      -1.702200       1.147400    
 C   -6.310700      0.2988000     -0.1342000    
 C   -6.712700     -0.7699000      0.6665000    
 C    5.682900     -0.2742000      0.2153000    
 C  -0.7745000      -3.046400      -1.876100    
 C    3.828500       1.799400      0.6992000    
 C    4.771000      -3.706100      0.6547000    
 C    6.115700      0.9980000      0.6048000    
 C    5.195700       2.026400      0.8449000    
 H   -2.704400      0.8816000      -1.842000    
 H   -1.178600      0.1251000      -1.574900    
 H  -0.9120000       1.426600      0.5918000    
 H   -2.443800       2.196500      0.2877000    
 H   6.8000001E-03   2.413800      -1.533100    
 H   -1.564300       3.192900      -1.842100    
 H  -9.6400000E-02  -1.368400       1.138700    
 H   -4.687700       1.317400      -1.096400    
 H    4.002800      -3.533400      -1.331500    
 H    5.461100      -2.631400      -1.089500    
 H    1.757900      -3.539300     -0.9709000    
 H   -6.107200      -2.531000       1.770100    
 H   -7.050600       1.009900     -0.4924000    
 H   -7.763200     -0.8816000      0.9229000    
 H    6.428800      -1.043800      4.7800001E-02
 H  -0.3585000      -2.708500      -2.831600    
 H   -1.844300      -2.821400      -1.893400    
 H  -0.6657000      -4.134800      -1.819400    
 H    3.120800       2.599500      0.8861000    
 H    5.321300      -3.125200       1.401700    
 H    3.831100      -4.032600       1.112000    
 H    5.360200      -4.597300      0.4167000    
 H    7.178600       1.190700      0.7246000    
 H    5.551800       3.007500       1.147000    
 H    1.295700       4.591000      -1.488500    


%chk=000103726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103726

1 1
S -3.167995 -1.714484 2.209636
S 0.950554 2.524115 -1.495406
S 1.629324 -0.331993 1.679337
O 1.152237 3.541441 -3.025367
O 2.061654 1.341314 -1.456739
O 0.770946 3.455729 -0.188771
N -2.980262 -0.751463 -0.260751
N 3.492318 -0.967115 -0.079800
C -2.359351 -0.016674 -1.398285
C -1.455698 1.145207 -0.899198
C -4.328084 -0.484825 0.132332
C -2.213470 -1.428937 0.685770
C -0.748530 1.812408 -2.084144
C -4.614002 -0.916643 1.454765
C -0.859244 -1.798931 0.619117
C 2.161621 -1.217227 0.188254
C 4.154441 -0.112424 0.837234
C -5.336819 0.141896 -0.632966
C -0.087641 -2.168337 -0.531124
C 4.184437 -1.488153 -1.290682
C 3.301823 0.353124 1.869942
C 1.313107 -2.009123 -0.621166
C -5.875702 -0.729445 2.042872
C -6.608105 0.329848 -0.049514
C -6.879327 -0.097709 1.273913
C 5.510439 0.286514 0.808637
C -0.758685 -2.889671 -1.696730
C 3.753588 1.219147 2.878245
C 4.816569 -2.874949 -1.063790
C 5.972937 1.153437 1.819246
C 5.108399 1.619067 2.843410
H -3.172229 0.366067 -2.033944
H -1.770856 -0.710168 -2.014581
H -0.715563 0.718043 -0.197582
H -2.049129 1.886380 -0.338034
H -0.437665 1.123726 -2.886665
H -1.257832 2.694988 -2.497930
H -0.370826 -1.890750 1.597812
H -5.161944 0.469829 -1.661527
H 3.458371 -1.502756 -2.119540
H 4.948588 -0.744924 -1.569908
H 1.792262 -2.494351 -1.478511
H -6.081483 -1.064716 3.063374
H -7.397456 0.810484 -0.635349
H -7.872719 0.056902 1.704989
H 6.195540 -0.063702 0.031737
H -0.503623 -2.447934 -2.678473
H -1.853770 -2.936909 -1.589729
H -0.399555 -3.936748 -1.721476
H 3.084057 1.578317 3.664821
H 5.560908 -2.848535 -0.249553
H 4.055472 -3.631839 -0.806359
H 5.329416 -3.203693 -1.984527
H 7.020354 1.470186 1.812479
H 5.491664 2.292493 3.615663
H 1.987041 4.088163 -2.953865


