%chk=000178614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178614

0 1
 S    1.995200      1.3100000E-02 -0.2196000    
 P   5.1300000E-02  4.1999999E-03  0.5160000    
 O   0.1462000      8.6000003E-03   2.023900    
 O    2.595900      -1.206500      0.2713000    
 O    2.524100       1.316400      0.1125000    
 N  -0.7411000       1.326400     -0.1374000    
 N  -0.7267000      -1.329900     -0.1305000    
 C   -2.209900       1.268900     -0.1322000    
 C   -2.196100      -1.288400     -0.1254000    
 C   -2.701700     -1.4200000E-02 -0.8082000    
 C  -0.3049000       2.654700      0.2962000    
 C  -0.2761000      -2.651200      0.3100000    
 C    1.844000     -0.1020000      -1.976300    
 H   -2.631600       2.119100     -0.6816000    
 H   -2.586100       1.313600      0.8971000    
 H   -2.571700      -1.331400      0.9042000    
 H   -2.607900      -2.146600     -0.6697000    
 H   -3.798400     -2.0199999E-02 -0.7998000    
 H   -2.395800     -1.5400000E-02  -1.862800    
 H   0.7418000       2.834900      5.4400001E-02
 H  -0.4402000       2.781400       1.375200    
 H  -0.8639000       3.445400     -0.2174000    
 H  -0.7983000      -3.450400     -0.2280000    
 H  -0.4420000      -2.787500       1.383600    
 H   0.7846000      -2.797700      0.1033000    
 H    1.269600      0.7521000      -2.338400    
 H    2.847200     -8.5900001E-02  -2.406900    
 H    1.345800      -1.038700      -2.230100    


%chk=000178614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178614

0 1
S 1.075534 -0.135845 -1.708325
P -0.001885 0.333755 0.728937
O 1.108216 0.796658 1.788645
O 0.136124 0.626485 -2.844682
O 1.130497 -1.793844 -1.730307
N -1.347457 1.371245 0.441860
N -0.717894 -1.231161 0.891390
C -2.625580 0.802139 -0.061555
C -1.829724 -1.655774 -0.004925
C -2.401168 -0.502114 -0.857098
C -1.151727 2.830820 0.398251
C 0.097366 -2.319604 1.474695
C 2.876364 0.449048 -2.048280
H -3.086633 1.556997 -0.724616
H -3.307912 0.630888 0.796903
H -2.617645 -2.086010 0.646572
H -1.456928 -2.450925 -0.680395
H -3.367637 -0.837412 -1.274740
H -1.735949 -0.278112 -1.715440
H -0.178313 3.090374 0.848633
H -1.941537 3.325168 0.993509
H -1.185828 3.213108 -0.640245
H 0.571384 -2.924512 0.679445
H -0.560166 -2.958601 2.092700
H 0.879016 -1.891979 2.124711
H 3.504407 0.019966 -1.255589
H 3.121577 0.044565 -3.040636
H 2.866795 1.547480 -2.036018


