%chk=000106124.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106124

0 1
 S    7.978800       2.065400     -0.6661000    
 S   -7.141300     -0.9457000     -0.6172000    
 O   -6.329900      0.1157000      0.3295000    
 O    8.016900       2.911300      0.7310000    
 O    9.339000       2.025100      -1.178600    
 O    6.890500       2.580200      -1.479700    
 O   -6.959300      -2.287100     -8.1000000E-02
 O   -6.810800     -0.6425000      -2.003800    
 O    8.836600      -4.072100      0.3135000    
 O    10.29740      -2.613200     -0.4327000    
 N    5.260200       1.139300      0.3569000    
 N    9.148500      -2.903400     -2.0099999E-02
 N  -0.3186000       1.012700     -9.2699997E-02
 N  -0.7999000      0.2440000      0.7726000    
 C    6.247700      0.1398000      0.2559000    
 C    7.534000      0.4371000     -0.1998000    
 C    8.494300     -0.5704000     -0.2918000    
 C    5.926500      -1.170000      0.6192000    
 C    3.855000       1.108900      0.2426000    
 C    8.170700      -1.877600      7.1599998E-02
 C    6.886800      -2.177400      0.5272000    
 C   -8.825000     -0.5473000     -0.3840000    
 C    3.243300      0.1698000     -0.5879000    
 C    3.076700       2.016200      0.9612000    
 C   -11.51570      8.8399999E-02 -1.1400000E-02
 C   -9.441300      0.3906000      -1.212400    
 C   -9.554000      -1.167400      0.6307000    
 C   -10.78680      0.7085000      -1.026000    
 C   -10.89940     -0.8496000      0.8170000    
 C    1.082000       1.045700      1.9300001E-02
 C    1.853300      0.1381000     -0.6998000    
 C    1.686600       1.984700      0.8494000    
 C   -4.960900      0.1468000      0.4397000    
 C   -12.95440      0.4271000      0.1871000    
 C   -2.193500      0.2117000      0.6610000    
 C   -4.195000     -0.7606000     -0.2799000    
 C   -4.362200       1.086200       1.268600    
 C   -2.804800     -0.7281000     -0.1688000    
 C   -2.972100       1.118900       1.379700    
 H    5.624400       2.054500      0.6050000    
 H    9.494600     -0.3347000     -0.6437000    
 H    4.943200      -1.430800       1.001100    
 H    6.601000      -3.183200      0.8244000    
 H    3.824900     -0.5337000      -1.177200    
 H    3.541500       2.752000       1.612500    
 H   -8.892000      0.8915000      -2.004500    
 H   -9.094300      -1.894900       1.293600    
 H   -11.25590       1.440500      -1.678000    
 H   -11.45700      -1.339500       1.610800    
 H    1.384900     -0.5930000      -1.353200    
 H    1.087600       2.695300       1.412500    
 H   -13.58320     -0.2388000     -0.4121000    
 H   -13.16080       1.462200     -0.1056000    
 H   -13.24190      0.3288000       1.239500    
 H   -4.608500      -1.514500     -0.9387000    
 H   -4.965600       1.794000       1.829500    
 H   -2.205800      -1.439600     -0.7315000    
 H   -2.505000       1.854500       2.029400    
 H    8.674500       2.599800       1.396400    


%chk=000106124-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106124

0 1
S 8.240253 1.608541 -1.346288
S -7.495511 0.419612 -1.364021
O -6.438694 -0.235730 0.276445
O 7.432249 3.002843 -0.329588
O 9.843248 1.781775 -1.364936
O 7.417788 1.548192 -2.733949
O -7.280185 -0.616990 -2.598865
O -7.191573 2.007122 -1.553021
O 9.208990 -3.749476 2.014899
O 10.744755 -2.458608 0.914739
N 5.464136 1.076892 0.046248
N 9.541759 -2.713260 1.314632
N -0.204220 0.982923 0.257670
N -0.825292 -0.150726 0.011943
C 6.406974 0.090759 0.291400
C 7.760914 0.237905 -0.152687
C 8.800144 -0.636982 0.171317
C 6.138404 -1.080674 1.073144
C 4.054014 0.973584 0.113068
C 8.477477 -1.763130 0.954118
C 7.150602 -1.989209 1.396690
C -9.194785 0.179093 -0.622443
C 3.357197 -0.235438 -0.184923
C 3.314948 2.149497 0.420876
C -11.742265 -0.179842 0.474748
C -9.754644 1.237480 0.111169
C -9.837610 -1.051938 -0.830408
C -11.041876 1.042856 0.656493
C -11.123780 -1.217396 -0.273302
C 1.215292 0.901156 0.186625
C 1.957922 -0.271727 -0.144418
C 1.912804 2.110534 0.455626
C -5.069920 -0.167960 0.162772
C -13.136400 -0.362875 1.043759
C -2.245307 -0.072960 0.075944
C -4.330147 -1.343397 -0.166520
C -4.385391 1.064399 0.417498
C -2.929052 -1.294344 -0.193440
C -2.988419 1.111794 0.377517
H 5.856977 2.019424 -0.135432
H 9.827818 -0.474312 -0.169976
H 5.131948 -1.227887 1.470936
H 6.944246 -2.866661 2.015306
H 3.913465 -1.125450 -0.494789
H 3.846673 3.081224 0.644127
H -9.212461 2.179483 0.238092
H -9.356963 -1.841983 -1.415513
H -11.506107 1.851173 1.232516
H -11.651866 -2.166264 -0.420117
H 1.408834 -1.187018 -0.384119
H 1.326981 3.002938 0.696701
H -13.902717 -0.043443 0.311115
H -13.284900 0.239164 1.956576
H -13.339405 -1.419173 1.290519
H -4.878109 -2.266065 -0.379532
H -4.982543 1.953577 0.643257
H -2.329754 -2.179801 -0.427886
H -2.440509 2.038232 0.571955
H 7.610097 3.868748 -0.794066


