%chk=000068748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068748

0 1
 S   -3.074500     -0.7873000       1.250800    
 O   0.5064000      -2.705700     -0.9209000    
 O  -0.2715000       2.459000      -2.796500    
 O   -4.552200     -0.2964000     -0.8993000    
 O    1.502000      -3.846300      0.8241000    
 N  -0.8408000       1.994100     -0.5695000    
 N    2.885000      0.4350000       1.463500    
 N    3.572200       1.153600     -0.7316000    
 N   0.8333000       1.192100       2.380900    
 C   -1.718600       1.345300      0.2646000    
 C   0.2449000       2.753500      3.3300001E-02
 C   -1.885000      1.8000000E-03  0.2191000    
 C   -1.118900     -0.9080000     -0.7277000    
 C    1.488200       1.927000      0.1921000    
 C   -2.458700       2.275400       1.187700    
 C  -0.2274000      -1.911700      1.6000000E-03
 C    1.769100       1.179200       1.317200    
 C  -0.9822000       1.929100      -1.948900    
 C    2.435200       1.875800     -0.8105000    
 C    3.730800      0.4673000      0.4161000    
 C   -4.504500     -0.7589000      0.2344000    
 C    4.976100     -0.3433000      0.5406000    
 C    1.339400      -3.640900     -0.3711000    
 C   -5.691100      -1.391300      0.9061000    
 C    2.042700      -4.398600      -1.456200    
 H   0.4751000       3.597200     -0.6320000    
 H  -5.9400000E-02   3.229300      0.9707000    
 H   -1.825200      -1.449800      -1.370700    
 H  -0.4703000     -0.3746000      -1.425500    
 H   -3.502400       1.980200       1.331900    
 H   -2.500500       3.293300      0.7814000    
 H   -1.973300       2.320900       2.167400    
 H   0.4769000      -1.381900      0.6521000    
 H  -0.8341000      -2.580600      0.6229000    
 H   -1.871400       1.351600      -2.256000    
 H    2.316800       2.428800      -1.736600    
 H    1.063300      0.6063000       3.175300    
 H   0.3399000       2.051100       2.584300    
 H    4.753400      -1.395300      0.3387000    
 H    5.738900     -5.7999999E-03 -0.1679000    
 H    5.389100     -0.2583000       1.550600    
 H   -5.492900      -2.446300       1.115300    
 H   -6.556500      -1.330500      0.2391000    
 H   -5.935300     -0.8598000       1.830300    
 H    1.310400      -4.913200      -2.083200    
 H    2.703600      -5.145600      -1.007300    
 H    2.647800      -3.712500      -2.054000    


%chk=000068748-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068748

0 1
S -3.281989 -0.993795 1.120627
O 0.419642 -2.995776 -0.659865
O -0.280614 2.521084 -2.696378
O -4.668811 0.538035 -0.730690
O 1.035066 -4.351513 1.132421
N -0.848376 1.926180 -0.499979
N 3.236331 0.572647 1.230054
N 3.842278 1.676684 -0.849566
N 1.129417 0.773814 2.198997
C -1.776482 1.230106 0.361314
C 0.274787 2.746176 0.051642
C -1.890631 -0.133798 0.252096
C -1.003863 -1.050480 -0.570772
C 1.607373 2.019309 0.110922
C -2.640217 2.117142 1.237190
C -0.359978 -2.152739 0.287517
C 1.982154 1.126029 1.170283
C -1.026802 1.908060 -1.887044
C 2.591908 2.236730 -0.873988
C 4.115376 0.872388 0.227896
C -4.768895 -0.340027 0.144339
C 5.495589 0.271929 0.324501
C 1.101938 -4.079604 -0.087029
C -6.051140 -1.032945 0.558250
C 1.914826 -4.807698 -1.133910
H 0.380972 3.623743 -0.610105
H -0.020562 3.103498 1.055490
H -1.593604 -1.533192 -1.373570
H -0.200398 -0.468530 -1.053113
H -3.028439 1.576660 2.115583
H -3.503818 2.486303 0.652049
H -2.081191 3.004901 1.582032
H 0.327227 -1.735730 1.045006
H -1.109944 -2.784684 0.796632
H -1.915635 1.315838 -2.191568
H 2.367663 2.885416 -1.728749
H 1.503917 0.161110 2.922442
H 0.132858 0.972541 2.171715
H 5.433756 -0.817148 0.493200
H 6.059514 0.480264 -0.596519
H 6.039506 0.700311 1.186580
H -6.298221 -1.804222 -0.195330
H -6.877769 -0.302559 0.572763
H -5.961584 -1.523425 1.540397
H 1.385479 -4.828805 -2.099452
H 2.133222 -5.829375 -0.789636
H 2.871964 -4.276552 -1.287975


