%chk=000077394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077394

0 1
 S    1.427500      -1.904300     -0.7194000    
 S   -2.955000      -2.036300     -0.8294000    
 S    1.346800     -0.2437000       2.381100    
 P    1.760400     -0.1681000      0.4645000    
 O   0.9951000       1.070600     -0.2795000    
 O    3.297400      0.3128000      0.1808000    
 O   -4.433800      0.6315000     -9.2100002E-02
 N   -2.467400       1.098300       1.055600    
 C  -0.2733000      -2.399200     -0.3769000    
 C   -1.241000      -1.542900      -1.181300    
 C    1.202500       1.315700      -1.660800    
 C    4.389000     -0.4622000      0.6481000    
 C   -3.144700      -1.200900      0.7617000    
 C   0.3755000       2.512700      -2.078900    
 C    5.682100      0.2146000      0.2464000    
 C   -3.430600      0.2619000      0.5160000    
 C   -2.530800       2.539400      0.9643000    
 H  -0.4440000      -2.334200      0.6997000    
 H  -0.3722000      -3.452400     -0.6621000    
 H   -1.076800      -1.692200      -2.254300    
 H   -1.123900     -0.4756000     -0.9785000    
 H    2.262700       1.514900      -1.843200    
 H   0.9002000      0.4480000      -2.251500    
 H    4.344400     -0.5491000       1.737200    
 H    4.340300      -1.464100      0.2122000    
 H   -4.015200      -1.622100       1.275600    
 H   -2.283400      -1.357400       1.414400    
 H   0.5180000       2.735600      -3.139900    
 H   0.6497000       3.395300      -1.491700    
 H  -0.6884000       2.327400      -1.896800    
 H    5.736100       1.223800      0.6678000    
 H    6.547100     -0.3588000      0.5910000    
 H    5.739200      0.3209000     -0.8420000    
 H   -1.684300      0.6979000       1.563400    
 H   -1.516400       2.919900      0.8225000    
 H   -2.937900       2.924000       1.902600    
 H   -3.166300       2.849500      0.1313000    


%chk=000077394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077394

0 1
S 1.379058 -1.776023 -1.226661
S -3.081982 -2.425950 -0.339506
S 0.844839 -0.217510 2.112746
P 1.619948 0.014316 0.198799
O 0.980646 1.414441 -0.575878
O 3.316046 0.322238 0.023030
O -4.605828 0.510191 0.576297
N -2.367290 0.942703 1.086070
C -0.265291 -2.452859 -0.511884
C -1.486331 -1.751207 -1.108219
C 1.455487 1.776366 -1.954526
C 4.280227 -0.516325 0.802175
C -3.167651 -1.369191 1.241751
C 0.566278 2.926744 -2.412880
C 5.667350 0.028459 0.480066
C -3.460436 0.104856 0.942068
C -2.452413 2.385393 0.828854
H -0.203755 -2.337079 0.585164
H -0.241811 -3.526938 -0.759098
H -1.579657 -1.944440 -2.189272
H -1.465221 -0.659763 -0.947695
H 2.518430 2.066305 -1.884880
H 1.355714 0.887853 -2.607850
H 4.036936 -0.425090 1.877436
H 4.165807 -1.571733 0.488493
H -4.020315 -1.799185 1.790593
H -2.241866 -1.518120 1.823238
H 0.876974 3.253024 -3.422758
H 0.655019 3.786990 -1.728215
H -0.491188 2.615582 -2.456570
H 5.751174 1.086511 0.779822
H 6.429306 -0.552754 1.031429
H 5.881588 -0.051952 -0.598914
H -1.476043 0.568096 1.435071
H -1.561670 2.717972 0.268062
H -2.518486 2.963566 1.770348
H -3.364992 2.575712 0.241190


