%chk=000165031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165031

0 1
 S  -0.9190000       1.700300      0.4506000    
 O  -0.3891000       2.262200     -0.7772000    
 O   -1.148700       2.550800       1.602800    
 O  -0.3516000      -2.091000       1.877200    
 N   3.6899999E-02  0.3807000      0.9272000    
 N  -0.8991000      -2.827500     -0.2288000    
 N    4.590100      0.1026000      6.3600004E-02
 N    6.680800      4.5200001E-02  -1.117800    
 N    6.624400     -9.3199998E-02   1.156600    
 C   0.2870000     -0.7305000     -2.3100000E-02
 C    1.794500     -0.8662000     -0.2471000    
 C    2.379600      0.3587000     -0.9607000    
 C    3.878700      0.2266000      -1.209800    
 C  -0.3338000      -1.936600      0.6583000    
 C   -2.458500      0.9183000      7.2300002E-02
 C   -3.405900      0.7723000       1.070800    
 C   -2.688100      0.4667000      -1.215600    
 C   -4.869200     -0.3058000     -0.5207000    
 C   -4.620700      0.1554000      0.7720000    
 C   -3.902900     -0.1502000      -1.514600    
 C   -6.168500     -0.9641000     -0.8407000    
 C    5.883000      2.5200000E-02  4.6000001E-03
 H  -0.1947000     -0.5529000     -0.9867000    
 H    2.296500      -1.018900      0.7167000    
 H    1.991400      -1.765200     -0.8444000    
 H    2.206900       1.258900     -0.3597000    
 H    1.870000      0.5035000      -1.920600    
 H   0.2605000      0.2242000       1.917500    
 H    4.063800     -0.6524000      -1.839200    
 H    4.217100       1.119000      -1.750300    
 H   -3.228300       1.116500       2.085000    
 H   -1.954300      0.5841000      -2.006800    
 H   -5.364300      3.6600001E-02   1.555800    
 H   -4.084800     -0.5054000      -2.525400    
 H  -0.8787000      -2.684100      -1.233400    
 H   -1.355300      -3.671600      0.1007000    
 H   -6.092500      -2.043800     -0.6780000    
 H   -6.976000     -0.5708000     -0.2139000    
 H   -6.456000     -0.7854000      -1.882400    
 H    6.297500      0.1251000      -2.052800    
 H    7.690100     -2.2500001E-02  -1.042600    
 H    7.636200     -0.1556000       1.132100    
 H    6.177100     -0.1222000       2.066400    


%chk=000165031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165031

0 1
S -1.563921 0.918289 -1.849610
O -1.809937 0.073827 -3.231214
O -1.433883 2.532217 -1.937729
O -0.570869 -2.494025 -1.333519
N 0.008682 0.238523 -1.029730
N 0.420190 -2.560547 -3.433790
N 4.220179 -0.266846 0.711004
N 6.513057 0.252780 1.339939
N 5.004867 -0.654864 2.892079
C 0.796685 -0.564068 -1.998976
C 2.226389 -0.751026 -1.412061
C 2.988356 0.578624 -1.255543
C 4.376681 0.367307 -0.613639
C 0.137124 -1.946675 -2.237656
C -2.893804 0.516157 -0.567288
C -3.496236 1.601200 0.087987
C -3.256217 -0.824651 -0.354493
C -4.928209 -0.017911 1.276386
C -4.522782 1.318232 1.014922
C -4.284789 -1.076704 0.581079
C -6.014383 -0.307777 2.296364
C 5.208914 -0.219640 1.571800
H 0.859069 -0.002123 -2.949345
H 2.172918 -1.243179 -0.423836
H 2.786895 -1.432568 -2.084922
H 2.392739 1.260557 -0.624014
H 3.116930 1.065838 -2.244537
H -0.339241 -0.401025 -0.279345
H 4.988435 -0.277412 -1.289443
H 4.892360 1.357221 -0.557305
H -3.172287 2.623519 -0.133598
H -2.753042 -1.640728 -0.885096
H -5.015279 2.145107 1.539607
H -4.589126 -2.112217 0.771312
H 0.867094 -2.054124 -4.196247
H 0.007664 -3.473319 -3.626960
H -5.589177 -0.367286 3.317041
H -6.781292 0.486334 2.307481
H -6.517188 -1.268801 2.092970
H 6.787066 0.508426 0.395683
H 7.072199 0.609380 2.112026
H 5.759379 -1.135852 3.380205
H 4.049887 -0.943171 3.099912


