%chk=000131063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131063

0 1
 S    4.946900       1.080000     -0.3174000    
 O   -3.664400      -2.436000     -0.6838000    
 O   -5.123000       1.945700      0.1647000    
 O    5.227500      0.9358000      -1.921500    
 O    4.344600       2.388400     -0.1076000    
 O    6.160200      0.6998000      0.3893000    
 N   -2.844600       1.496100      0.3147000    
 N  -0.9210000      -1.396100     -0.1378000    
 N   -4.422700     -0.2479000     -0.2636000    
 N  -0.5080000      0.7281000      0.3984000    
 C   -2.130700     -0.7628000     -0.1260000    
 C   -1.849400      0.5347000      0.2045000    
 C   2.4800001E-02 -0.4572000      0.1840000    
 C   -3.440000      -1.265800     -0.3885000    
 C    1.428100     -0.7842000      0.2641000    
 C   -4.194800       1.133400      8.0899999E-02
 C   -2.503800       2.868500      0.6684000    
 C    2.387800      0.1844000     -2.9300001E-02
 C    3.744200     -0.1321000      4.8500001E-02
 C    1.824000      -2.069100      0.6351000    
 C   -5.806100     -0.6409000     -0.5094000    
 C    4.140200      -1.417100      0.4196000    
 C    3.180100      -2.385600      0.7128000    
 H  -0.7628000      -2.370800     -0.3582000    
 H    2.077100       1.182700     -0.3286000    
 H   -3.390600       3.505500      0.7152000    
 H   -1.820100       3.270000     -8.5900001E-02
 H   -2.014800       2.871600       1.647400    
 H    1.102400      -2.843400      0.8828000    
 H   -5.907000      -1.697900     -0.7657000    
 H   -6.202200     -3.1300001E-02  -1.327900    
 H   -6.394200     -0.4293000      0.3893000    
 H    5.190100      -1.689200      0.4804000    
 H    3.488800      -3.385600       1.003000    
 H    4.450000       1.106500      -2.503600    


%chk=000131063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131063

0 1
S 4.927748 1.220037 0.211983
O -3.979347 -2.557281 0.010375
O -5.121759 2.025504 -0.090525
O 5.076456 1.364352 -1.634585
O 4.230482 2.562431 0.781864
O 6.340577 0.707134 0.808790
N -2.837790 1.489419 -0.023273
N -1.048543 -1.572046 0.068168
N -4.535151 -0.243327 -0.039450
N -0.511528 0.639952 0.048740
C -2.251609 -0.870422 0.027136
C -1.885698 0.485693 0.015905
C -0.016722 -0.637485 0.080436
C -3.611072 -1.342608 0.000574
C 1.410724 -0.960357 0.122333
C -4.215017 1.148884 -0.053381
C -2.433369 2.909979 -0.034281
C 2.340704 0.115950 0.129919
C 3.700061 -0.200167 0.171496
C 1.899335 -2.296158 0.153503
C -5.982641 -0.559807 -0.069778
C 4.218912 -1.504790 0.206975
C 3.283066 -2.564161 0.198801
H -0.981913 -2.589230 0.086023
H 1.979235 1.148902 0.117210
H -3.349857 3.516715 -0.056559
H -1.816157 3.120470 -0.923578
H -1.844512 3.141630 0.868719
H 1.204761 -3.144248 0.147982
H -6.078951 -1.655133 -0.052223
H -6.440890 -0.145301 -0.982296
H -6.485054 -0.112548 0.803127
H 5.297715 -1.680563 0.252963
H 3.637908 -3.598800 0.225774
H 5.696495 2.126280 -1.830566


