%chk=000127482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127482

0 1
 S    1.954600       1.097800       2.005500    
 S    2.832300       1.503300      0.1922000    
 O   -2.205500       3.035700      0.6869000    
 O   -2.343900     -0.9119000      0.4832000    
 O   -3.022300      -3.021900       2.309400    
 O   -3.753000      -1.448500      -1.961100    
 O  -0.5782000      -2.211600     -0.2154000    
 O   -1.427900       2.010200      -1.215400    
 O    2.686300      -1.629000      -1.577400    
 O    3.753700     -0.1917000      -2.847700    
 N   -3.147700      -2.039100      0.2053000    
 N  -0.9428000       1.190000      0.9002000    
 N    5.130300      0.7473000       1.268200    
 N    3.604200     -0.7942000      -1.758200    
 C   -2.856100       4.024600     -0.1192000    
 C  -0.1456000      5.3700000E-02  0.5066000    
 C   -4.249100      -4.034000      0.4846000    
 C   -4.491500      -3.511700     -0.9332000    
 C   -1.796000       4.756800     -0.9407000    
 C   -3.567200       4.992000      0.8243000    
 C   -3.863000       3.323800      -1.030000    
 C   -3.399200      -2.984400       1.148200    
 C   -3.765700      -2.194900     -0.9945000    
 C   0.8817000     -0.3094000       1.580500    
 C   -1.029800      -1.153300      0.2124000    
 C   -1.516200       2.071700      6.5000001E-03
 C    4.286600      0.4721000      0.2483000    
 C    4.504900     -0.5213000     -0.6926000    
 C    5.663900      -1.281400     -0.5794000    
 C    6.556300      -1.028200      0.4564000    
 C    6.246100     -1.2100000E-02   1.345900    
 H   0.3306000      0.2924000     -0.4510000    
 H   -5.189600      -4.149600       1.031200    
 H   -3.715100      -4.988600      0.4706000    
 H   -4.083300      -4.195100      -1.683600    
 H   -5.557700      -3.356700      -1.122000    
 H  -0.9337000       5.023400     -0.3185000    
 H   -1.413000       4.193500      -1.795300    
 H   -2.208100       5.683300      -1.358000    
 H   -2.853000       5.459500       1.511700    
 H   -4.295100       4.461000       1.448400    
 H   -4.091200       5.783400      0.2786000    
 H   -3.421700       2.817500      -1.892100    
 H   -4.439300       2.574300     -0.4750000    
 H   -4.571200       4.050000      -1.446900    
 H   -1.136600       1.326600       1.887900    
 H   0.3715000     -0.6185000       2.500600    
 H    1.502200      -1.157000       1.268900    
 H    5.885400      -2.073800      -1.290000    
 H    7.465800      -1.607900      0.5643000    
 H    6.909100      0.2250000       2.171400    


%chk=000127482-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127482

0 1
S 1.364701 1.252759 1.722001
S 2.591136 1.557786 -0.174722
O -2.516143 3.167690 0.203586
O -2.188969 -1.599142 0.837414
O -1.267545 -4.298398 1.295107
O -4.895904 -1.689008 -0.204204
O -1.395832 -1.861551 -1.384696
O -0.626257 2.659373 -1.144363
O 2.215345 -1.436754 -1.212523
O 3.930918 -1.576972 -2.713575
N -2.954140 -2.774986 0.618693
N -1.583773 1.118517 0.342841
N 4.896428 0.916679 1.182925
N 3.437068 -1.243373 -1.569927
C -2.667973 4.598967 -0.304670
C -0.625618 0.055867 0.050663
C -3.535664 -5.048989 0.510555
C -4.729258 -4.188608 0.010378
C -1.396219 5.398934 0.040142
C -3.882786 5.089172 0.501382
C -2.962454 4.570526 -1.817298
C -2.415279 -4.067751 0.868567
C -4.277104 -2.727164 0.097012
C 0.346240 -0.253635 1.218090
C -1.384693 -1.215467 -0.340702
C -1.495092 2.355591 -0.285203
C 4.054550 0.495391 0.205363
C 4.372179 -0.646275 -0.582102
C 5.623605 -1.286035 -0.429665
C 6.492017 -0.826254 0.578037
C 6.066787 0.254128 1.389229
H -0.039163 0.368663 -0.831883
H -3.781676 -5.649447 1.402859
H -3.157691 -5.744552 -0.257545
H -5.003666 -4.406092 -1.035615
H -5.639205 -4.316482 0.620828
H -1.181290 5.334425 1.121532
H -0.527172 5.020870 -0.520489
H -1.551266 6.462364 -0.219027
H -3.673224 5.047263 1.584154
H -4.766434 4.462269 0.291697
H -4.117454 6.133358 0.227873
H -2.098836 4.182804 -2.380087
H -3.842860 3.937763 -2.027494
H -3.182030 5.595790 -2.167585
H -2.334594 0.965527 1.018276
H -0.199497 -0.526909 2.139127
H 1.032417 -1.069183 0.943358
H 5.882416 -2.126945 -1.079665
H 7.465661 -1.295719 0.742496
H 6.681492 0.616315 2.219855


