%chk=000149568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149568

0 1
 S   -6.401200      -2.057700      0.8255000    
 O    4.639000      -1.186500      -1.007200    
 O   -3.508400       1.645500      -2.096100    
 O    6.664000      -3.182000       1.285100    
 O    4.925700      -1.316300       2.401400    
 O   -7.667100      -2.217600       1.516500    
 O   -6.357900      -1.958900     -0.6200000    
 N  -0.9413000       1.191600      -1.035700    
 N    3.131100      0.9214000     -8.1799999E-02
 N   -5.542100     -0.7567000       1.557400    
 C   0.4396000       1.100100     -0.7123000    
 C    1.193200      2.2800000E-02  -1.189000    
 C    1.033000       2.087900      8.0200002E-02
 C    2.554600     -2.7300000E-02 -0.8447000    
 C    2.400500       1.956800      0.3752000    
 C    3.310200      -1.097600      -1.316400    
 C   0.6227000     -0.9845000      -1.986600    
 C   -2.093000      0.7114000     -0.3984000    
 C   0.2995000       3.181200      0.5732000    
 C    2.746400      -2.100300      -2.109200    
 C    2.996900       2.936700       1.164400    
 C    1.399900      -2.044000      -2.445100    
 C   -3.364900      0.9439000     -0.9362000    
 C    5.056400      -2.343400     -0.2893000    
 C   -1.976700     -1.2700000E-02  0.7943000    
 C    6.284400      -2.014900      0.5520000    
 C   0.9193000       4.147200       1.360400    
 C   -4.377700     -0.2609000      0.8968000    
 C    2.270800       4.024200       1.656600    
 C   -4.502800      0.4593000     -0.2911000    
 C   -3.114600     -0.4970000       1.439600    
 C    5.992800     -0.9050000       1.553400    
 C   -5.372400      -3.425600       1.310200    
 C   -3.660000       3.058700      -1.983100    
 H   -1.108600       1.675000      -1.913300    
 H  -0.4258000     -0.9686000      -2.272500    
 H  -0.7577000       3.310400      0.3572000    
 H    3.350100      -2.924500      -2.479000    
 H    4.054700       2.862300       1.410500    
 H   0.9575000      -2.818800      -3.063700    
 H    4.248400      -2.737500      0.3423000    
 H    5.311900      -3.135700      -1.003800    
 H   -1.006500     -0.2133000       1.241600    
 H    7.120800      -1.717100     -8.8799998E-02
 H   0.3508000       4.991000       1.739300    
 H    2.764400       4.772400       2.269900    
 H   -5.484500      0.6578000     -0.7146000    
 H   -3.005200      -1.058200       2.364100    
 H    5.718200      3.1300001E-02   1.059200    
 H    6.867200     -0.7286000       2.188400    
 H   -5.447400     -0.8170000       2.580100    
 H    5.927200      -3.416200       1.875300    
 H   -5.293400      -3.443700       2.398800    
 H   -5.849000      -4.344100      0.9601000    
 H   -4.390800      -3.322300      0.8450000    
 H   -3.729300       3.477200      -2.990900    
 H   -4.578600       3.301900      -1.439900    
 H   -2.797300       3.504800      -1.478500    
 H    4.763000     -0.5897000       3.026700    


%chk=000149568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149568

0 1
S -7.199050 -0.955214 0.866883
O 4.837483 -0.956633 -0.336354
O -3.100947 1.106626 -2.419862
O 8.224535 -2.431799 -0.572751
O 6.930261 -3.171397 1.680629
O -8.670197 -0.942979 1.572121
O -7.047886 -1.047583 -0.760380
N -0.978109 0.943364 -0.884632
N 3.029351 0.772742 0.662809
N -6.136528 0.845451 1.416855
C 0.327378 0.896406 -0.331071
C 1.239325 -0.086651 -0.836364
C 0.773341 1.837948 0.649791
C 2.602853 -0.078070 -0.313521
C 2.141705 1.703427 1.139045
C 3.552122 -1.047573 -0.849901
C 0.856823 -1.077879 -1.804776
C -2.207470 0.912004 -0.223368
C -0.022974 2.935528 1.130751
C 3.148443 -1.979516 -1.811918
C 2.615330 2.614731 2.146958
C 1.794601 -1.993355 -2.273130
C -3.385000 1.008280 -1.047556
C 5.845713 -1.931120 -0.798333
C -2.374310 0.734767 1.178009
C 7.151717 -1.568200 -0.069475
C 0.478432 3.812437 2.089434
C -4.824284 0.827983 0.924754
C 1.803540 3.641634 2.618361
C -4.663919 0.991688 -0.490200
C -3.659061 0.662741 1.738666
C 7.023218 -1.709868 1.453313
C -6.258261 -2.509085 1.546715
C -4.243975 1.125869 -3.344854
H -1.060663 0.867655 -1.904713
H -0.179817 -1.136367 -2.150370
H -1.028645 3.087830 0.729293
H 3.854529 -2.712157 -2.211694
H 3.640713 2.471841 2.501038
H 1.496410 -2.751974 -3.004967
H 5.526407 -2.959254 -0.536658
H 5.996093 -1.847042 -1.891405
H -1.492201 0.631407 1.815087
H 7.434186 -0.532756 -0.322469
H -0.138702 4.647382 2.438749
H 2.175903 4.336169 3.379198
H -5.567697 1.083474 -1.096171
H -3.771516 0.502475 2.818165
H 6.116100 -1.184560 1.805766
H 7.927727 -1.299419 1.943837
H -6.175891 0.777837 2.456745
H 8.167540 -3.272480 -0.041063
H -6.383725 -2.502431 2.638133
H -6.753062 -3.369104 1.074173
H -5.211056 -2.406754 1.230041
H -3.801643 1.126237 -4.351366
H -4.878826 0.231928 -3.202779
H -4.847724 2.040298 -3.197340
H 6.911361 -3.368339 2.647621


