%chk=000039557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039557

0 1
 S    5.953000      -2.372300      5.4200001E-02
 O   -5.086600     -5.6699999E-02  0.4404000    
 O   -3.294000      -1.476400      0.4773000    
 N    2.431200       1.232300     -0.1093000    
 N    1.607600     -0.8169000      0.1391000    
 N   -3.031400      0.8414000      0.2352000    
 N    3.382000       2.271700     -0.2651000    
 N    5.184100      8.7399997E-02 -0.1479000    
 C    1.070300       1.389600     -4.8999999E-02
 C   0.5790000      9.6400000E-02  0.1060000    
 C    2.702700     -0.1024000      7.7000000E-03
 C  -0.8086000     -0.1020000      0.2030000    
 C   -1.649600       1.016100      0.1393000    
 C   0.2519000       2.517700     -0.1149000    
 C   -1.126600       2.301800     -1.6899999E-02
 C    4.057300     -0.6953000     -8.1000002E-03
 C   -5.964400      -1.072900     -5.8100000E-02
 C   -3.748000     -0.3418000      0.3922000    
 C   -7.405100     -0.6108000      9.8499998E-02
 C   -5.617800      -1.366000      -1.509900    
 C    4.269600      -2.050200      0.1150000    
 C    6.243300     -0.6909000     -0.1289000    
 H   -1.143500      -1.120600      0.3224000    
 H   0.6560000       3.516500     -0.2360000    
 H   -1.791300       3.162200     -6.4599998E-02
 H   -5.833200      -1.979300      0.5460000    
 H   -3.590800       1.689400      0.1830000    
 H    3.332300       2.953700      0.4908000    
 H    3.241900       2.793400      -1.129500    
 H   -7.580700      0.3156000     -0.4592000    
 H   -7.622400     -0.3905000       1.149200    
 H   -8.109200      -1.371200     -0.2523000    
 H   -5.613900     -0.4452000      -2.104000    
 H   -4.628100      -1.818500      -1.621000    
 H   -6.342100      -2.058500      -1.951300    
 H    3.552300      -2.850400      0.2341000    
 H    7.246700     -0.2990000     -0.2231000    


%chk=000039557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039557

0 1
S 6.255698 -2.219457 0.095726
O -5.148816 0.049226 -0.124666
O -3.377573 -1.512627 -0.027286
N 2.530396 1.313086 0.028574
N 1.705697 -0.828923 0.015216
N -3.033491 0.832500 -0.112527
N 3.415288 2.424729 0.079393
N 5.295401 0.239237 -0.207745
C 1.137024 1.434131 -0.022768
C 0.637013 0.087771 -0.009286
C 2.825636 -0.068539 0.046609
C -0.753441 -0.167214 -0.036468
C -1.614162 0.952539 -0.081123
C 0.284220 2.552926 -0.073543
C -1.095882 2.291926 -0.103638
C 4.182338 -0.603038 0.037461
C -6.142803 -1.078842 -0.141958
C -3.790504 -0.326314 -0.085340
C -7.433744 -0.484287 0.425888
C -6.277373 -1.610167 -1.576377
C 4.495671 -1.946143 0.222892
C 6.430297 -0.433947 -0.207861
H -1.147855 -1.184153 -0.024692
H 0.678438 3.572111 -0.104715
H -1.799019 3.132922 -0.150789
H -5.741480 -1.872166 0.516164
H -3.576878 1.696775 -0.157137
H 3.529620 2.740935 1.055238
H 4.320637 2.133786 -0.324963
H -7.796397 0.341341 -0.211780
H -7.271308 -0.094088 1.445082
H -8.218061 -1.261469 0.468556
H -6.613699 -0.808181 -2.257525
H -5.313446 -2.008171 -1.935185
H -7.020494 -2.428227 -1.607675
H 3.802200 -2.761552 0.410626
H 7.414749 -0.001037 -0.378081


