%chk=000090876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090876

0 1
 S    3.641400      -1.749500     -0.9035000    
 S    2.024200      -2.885500      -1.464700    
 O    6.144900      0.4442000      -2.556600    
 O  -8.6400002E-02  -5.424400     -0.7806000    
 O    6.337500      0.5861000     -0.3008000    
 O  -0.7472000      -4.780700       1.291800    
 O    2.573500     -0.7226000       2.548900    
 O   -4.630000      -1.924100       1.679300    
 O    3.340100       1.154300       3.390900    
 O   -3.168500     -0.5625000       2.589800    
 O   -2.142500       3.432000      0.4554000    
 O   -3.838800       2.347500      -3.321800    
 O   -1.960000       2.474300       2.422300    
 O   -5.130300       2.554100      -1.558700    
 N    3.730900       1.218400      2.5200000E-02
 N   -1.625000      -2.383900      0.1846000    
 N    2.639600      0.5289000       2.560800    
 N   -3.722100      -1.065400       1.584100    
 N   -1.484000       2.782200       1.303100    
 N   -4.205600       1.977300      -2.180500    
 C    4.158000      0.9458000      -1.332700    
 C  -0.5488000      -3.103900     -0.4669000    
 C    3.390300     -0.2474000      -1.900000    
 C   0.7794000      -2.379000     -0.2537000    
 C    2.443600       1.596200      0.3593000    
 C   -2.274600      -1.303900     -0.3837000    
 C    1.894100       1.265300       1.598000    
 C   -3.305100     -0.6473000      0.2893000    
 C    5.645000      0.6447000      -1.308700    
 C  -0.4832000      -4.497100      0.1305000    
 C    1.691800       2.320100     -0.5662000    
 C   -1.884100     -0.8730000      -1.651600    
 C   0.5928000       1.658300       1.911000    
 C   -3.944900      0.4401000     -0.3057000    
 C  -0.1588000       2.382300      0.9855000    
 C   -3.554200      0.8708000      -1.573600    
 C   0.3907000       2.713100     -0.2532000    
 C   -2.523800      0.2142000      -2.246500    
 H    4.038800       1.834100      -1.963100    
 H  -0.7909000      -3.252300      -1.526600    
 H    3.724100     -0.4647000      -2.920500    
 H    2.320700     -2.1600001E-02  -1.952700    
 H    1.162800      -2.582600      0.7530000    
 H   0.6500000      -1.295400     -0.3429000    
 H    4.297800      0.8171000      0.7651000    
 H   -1.845800      -2.630400       1.142800    
 H    2.084000       2.611900      -1.535400    
 H   -1.083500      -1.331000      -2.221800    
 H   0.1823000       1.388700       2.882200    
 H   -4.745400      0.9392000      0.2370000    
 H  -0.1654000       3.277100     -0.9978000    
 H   -2.191100      0.5249000      -3.233700    
 H    7.106400      0.2507000      -2.538200    
 H  -4.2700000E-02  -6.323800     -0.3912000    


%chk=000090876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090876

0 1
S 4.019838 -2.053796 -1.295797
S 2.002874 -2.778195 -2.035178
O 6.868633 0.622428 -1.720308
O -0.343142 -5.245527 -1.223043
O 6.396459 0.232889 0.528934
O -0.092049 -4.630237 1.010897
O 1.478093 0.708206 3.737330
O -4.352967 -0.590149 2.817087
O 3.445391 0.238452 2.694119
O -2.591717 -2.001081 2.528680
O -2.078172 3.298180 -0.712554
O -4.945081 2.286327 -2.720831
O -2.252638 2.641715 1.469175
O -5.902650 2.341866 -0.647323
N 3.758669 0.835445 0.156990
N -1.480562 -2.244525 0.176486
N 2.227419 0.715485 2.692589
N -3.430170 -1.096553 2.080573
N -1.585301 2.788199 0.371628
N -5.044014 1.886321 -1.494606
C 4.567366 0.761518 -1.055814
C -0.502521 -2.898898 -0.698561
C 4.098839 -0.319841 -2.081095
C 0.848870 -2.119985 -0.668003
C 2.486901 1.333435 0.224397
C -2.330985 -1.237429 -0.216730
C 1.698935 1.281233 1.441422
C -3.301645 -0.654227 0.687254
C 6.019345 0.508105 -0.625473
C -0.290431 -4.329036 -0.182342
C 1.855287 1.944828 -0.917182
C -2.306929 -0.710903 -1.554459
C 0.377003 1.764248 1.488627
C -4.181063 0.367642 0.271697
C -0.192029 2.322440 0.336501
C -4.118748 0.829061 -1.047969
C 0.552434 2.434969 -0.867476
C -3.181118 0.293195 -1.967821
H 4.567543 1.730519 -1.596313
H -0.887408 -2.964533 -1.730229
H 4.799530 -0.352156 -2.929806
H 3.084294 -0.094568 -2.444982
H 1.351181 -2.259115 0.302467
H 0.661435 -1.049544 -0.850259
H 4.143483 0.431497 1.032814
H -1.542327 -2.522406 1.175224
H 2.416900 2.044937 -1.849256
H -1.584471 -1.103895 -2.274210
H -0.190954 1.696524 2.420668
H -4.894790 0.793552 0.981386
H 0.085231 2.902796 -1.738379
H -3.158003 0.686983 -2.987253
H 7.809341 0.440383 -1.450908
H -0.157405 -6.164881 -0.886487


