%chk=000177589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177589

0 1
 S  -0.6683000     -0.6880000     -0.1585000    
 O    5.928100     -0.3106000     -0.1508000    
 N  -0.1574000       1.772700      0.3409000    
 N   -1.537700       1.672100      0.3323000    
 N   -4.894500      -1.818200      8.7600000E-02
 C    1.838100      0.3756000      3.4600001E-02
 C   0.4170000      0.6144000      9.8999999E-02
 C    2.715100       1.439600     -0.1768000    
 C    2.335800     -0.9190000      0.1843000    
 C   -1.935500      0.4425000      8.3899997E-02
 C   -3.305100      9.9999997E-05  5.1000002E-03
 C    4.586900     -8.5699998E-02 -8.9900002E-02
 C    4.089600       1.209000     -0.2390000    
 C    3.710100      -1.149700      0.1218000    
 C   -4.337200      0.9040000     -0.2169000    
 C   -3.632300      -1.337900      0.1494000    
 C   -5.648800      0.4479000     -0.2870000    
 C   -5.872400     -0.9104000     -0.1298000    
 C    6.368300      -1.658200      9.7000003E-03
 H    2.350900       2.456800     -0.2990000    
 H    1.707700      -1.783800      0.3761000    
 H    4.767900       2.041500     -0.4047000    
 H    4.029800      -2.178100      0.2512000    
 H   -4.142800       1.966400     -0.3403000    
 H   -2.906000      -2.118700      0.3482000    
 H   -6.470200       1.133800     -0.4600000    
 H   -6.877400      -1.316800     -0.1763000    
 H    5.993900      -2.302300     -0.7932000    
 H    6.120600      -2.046700       1.003400    
 H    7.460500      -1.652900     -6.8000004E-02


%chk=000177589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177589

0 1
S -0.761076 -1.048586 0.065603
O 6.096592 -0.134302 -0.012935
N -0.178568 1.548563 -0.197906
N -1.568312 1.484585 -0.192600
N -5.310477 -1.702287 0.116118
C 1.873510 0.171283 -0.055441
C 0.425762 0.355542 -0.076099
C 2.722844 1.315623 -0.168670
C 2.474470 -1.108074 0.074236
C -2.059947 0.244616 -0.067358
C -3.490458 -0.058821 -0.039340
C 4.700961 -0.111495 -0.019451
C 4.114885 1.176737 -0.151074
C 3.874431 -1.259608 0.093457
C -4.443513 0.995210 -0.141084
C -3.986581 -1.387207 0.086974
C -5.814525 0.680480 -0.112227
C -6.205684 -0.674281 0.017297
C 6.762183 -1.435360 0.121654
H 2.260862 2.302049 -0.269311
H 1.844894 -2.001559 0.161745
H 4.775009 2.044698 -0.236948
H 4.304474 -2.259845 0.195255
H -4.087209 2.024830 -0.239509
H -3.295796 -2.236374 0.167815
H -6.572650 1.465964 -0.188104
H -7.263635 -0.957884 0.043841
H 6.504742 -2.105165 -0.721027
H 6.499835 -1.921169 1.080909
H 7.837677 -1.208764 0.101480


