%chk=000168711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168711

1 1
 S   -1.832200      0.1109000      -1.198000    
 O   -2.360100       1.386300      -1.646300    
 O   -1.829200      -1.019700      -2.107900    
 O    3.745500       1.036300      0.4826000    
 N   -2.600600     -0.3415000      0.2781000    
 N    2.953000      -1.505900     -0.3572000    
 N    3.661700      -2.335400     -0.3796000    
 C   -2.097700      -1.549900      0.9796000    
 C   -2.967400      0.7399000       1.227700    
 C  -0.1565000      0.3837000     -0.6936000    
 C   -3.223500      -2.190600       1.765800    
 C   -4.358900       1.248800      0.9105000    
 C   0.7360000     -0.6718000     -0.7254000    
 C   0.2237000       1.647000     -0.2799000    
 C    2.055900     -0.4563000     -0.3291000    
 C    1.543700       1.862300      0.1166000    
 C    2.460000      0.8107000      9.2299998E-02
 C    4.046700      0.8451000       1.863500    
 H   -1.737500      -2.280500      0.2481000    
 H   -1.264700      -1.291300       1.642000    
 H   -2.920700      0.4167000       2.271400    
 H   -2.253200       1.565400       1.154600    
 H   -3.559600      -1.579700       2.607900    
 H   -4.090900      -2.382500       1.124900    
 H   -2.890900      -3.149500       2.177100    
 H   -4.428200       1.654800     -0.1025000    
 H   -5.096500      0.4439000      0.9963000    
 H   -4.640400       2.042400       1.609900    
 H   0.4326000      -1.663500      -1.047900    
 H  -0.4725000       2.479000     -0.2540000    
 H    1.851500       2.852200      0.4427000    
 H    3.834500     -0.1848000       2.167600    
 H    3.473100       1.544300       2.480300    
 H    5.112100       1.040900       2.011900    


%chk=000168711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168711

1 1
S -1.814327 0.338783 -0.566977
O -2.124276 1.874058 -1.006500
O -2.020392 -0.935976 -1.568284
O 4.182990 0.288075 0.430208
N -2.473373 0.137734 1.171533
N 3.030893 -1.656028 -0.967104
N 3.727787 -2.480286 -1.398212
C -2.425609 -1.276696 1.649238
C -3.673757 0.997680 1.428331
C 0.049531 0.298408 -0.166138
C -3.512198 -2.264771 1.171308
C -4.923513 0.794908 0.542657
C 0.803146 -0.735222 -0.699703
C 0.611682 1.373026 0.565976
C 2.213642 -0.684501 -0.462177
C 1.998523 1.411989 0.803733
C 2.832289 0.384213 0.295010
C 4.937707 1.339838 1.169300
H -1.422998 -1.671090 1.389271
H -2.446655 -1.189145 2.753675
H -3.909969 0.806720 2.493759
H -3.340297 2.046790 1.346986
H -4.510278 -1.995669 1.553314
H -3.548480 -2.321574 0.070570
H -3.270396 -3.271063 1.559179
H -4.699997 1.030265 -0.512493
H -5.333083 -0.224932 0.601780
H -5.708062 1.498031 0.875532
H 0.329558 -1.525860 -1.294908
H -0.036918 2.176515 0.930740
H 2.430667 2.240308 1.370229
H 4.601247 1.376240 2.219192
H 4.810432 2.314429 0.668597
H 5.983284 1.012501 1.112379


