%chk=000148825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148825

0 1
 S    3.111600     -0.9574000      3.5000001E-03
 O   -1.641000      -3.346400      -3.025200    
 O   -1.658300      -3.459800       2.963000    
 N   -1.854200      -1.290800      8.2999999E-03
 N   0.2942000     -0.3314000      5.9000002E-03
 N   0.5717000       2.062300      6.5000001E-03
 N    5.784200      -1.193500      4.1000000E-03
 C   -1.037400     -0.1328000      8.1000002E-03
 C   -2.274900      -1.884300      -1.241400    
 C   -2.260600      -1.893800       1.258200    
 C   -1.635400       1.124300      9.6000005E-03
 C  -0.7629000       2.224800      8.7000001E-03
 C   -1.179200      -2.772200      -1.809500    
 C   -1.227500      -2.906300       1.726500    
 C    1.027700      0.7932000      5.1000002E-03
 C   -3.029300       1.306300      1.1800000E-02
 C   -1.324500       3.499300      1.0100000E-02
 C    2.453100      0.6280000      5.1000002E-03
 C   -3.563300       2.591000      1.3100000E-02
 C   -2.709700       3.688600      1.2100000E-02
 C    3.447300       1.589600      6.3000000E-03
 C    4.752800       1.019200      5.9000002E-03
 C    4.715600     -0.3578000      4.4999998E-03
 H   -2.542300      -1.111500      -1.973900    
 H   -3.190700      -2.473600      -1.106800    
 H   -3.237200      -2.383600       1.155900    
 H   -2.408900      -1.131400       2.034200    
 H  -0.9034000      -3.585700      -1.135300    
 H  -0.2746000      -2.199100      -2.034100    
 H  -0.2506000      -2.440300       1.886700    
 H   -1.100700      -3.728700       1.019000    
 H   -3.720500      0.4679000      1.3100000E-02
 H  -0.6782000       4.375000      9.3999999E-03
 H   -4.639300       2.735800      1.4900000E-02
 H   -3.118200       4.695000      1.3200000E-02
 H    3.257500       2.656000      7.4999998E-03
 H   -2.420000      -3.889700      -2.816300    
 H   -2.508200      -3.905200       2.805500    
 H    5.669000       1.596500      6.6999998E-03
 H    5.670500      -2.201900      3.5000001E-03
 H    6.740200     -0.8520000      5.2000000E-03


%chk=000148825-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148825

0 1
S 3.088176 -0.902606 1.189760
O -4.399994 -2.181651 -2.144856
O 0.384181 -4.496766 1.102471
N -1.738868 -1.379311 0.474457
N 0.291142 -0.262919 0.429017
N 0.678999 2.004961 -0.372201
N 5.807771 -1.016810 1.734796
C -1.041384 -0.198005 0.185174
C -3.037911 -1.779483 -0.111196
C -1.015299 -2.440900 1.223047
C -1.635928 1.052872 -0.304409
C -0.683348 2.115907 -0.595604
C -3.065382 -1.803775 -1.661484
C -0.250483 -3.431349 0.313045
C 1.097399 0.832319 0.169193
C -3.027301 1.340424 -0.472305
C -1.159667 3.365973 -1.109081
C 2.502865 0.676759 0.487115
C -3.466563 2.580560 -0.952028
C -2.524180 3.597152 -1.288279
C 3.556896 1.574786 0.343446
C 4.830254 1.077567 0.765056
C 4.773370 -0.237017 1.248724
H -3.875259 -1.159483 0.255327
H -3.243480 -2.802945 0.254994
H -1.762794 -2.988366 1.833883
H -0.287075 -1.966277 1.897387
H -2.276699 -2.484395 -2.044366
H -2.893873 -0.800652 -2.078652
H 0.580218 -2.905303 -0.179999
H -0.923824 -3.861815 -0.461176
H -3.786160 0.599744 -0.218109
H -0.406904 4.128100 -1.331654
H -4.539367 2.765992 -1.070004
H -2.874433 4.560453 -1.675317
H 3.388940 2.574029 -0.064362
H -4.565393 -3.138416 -1.949041
H -0.317839 -5.033012 1.551862
H 5.755370 1.657701 0.715968
H 5.657852 -1.971974 2.046201
H 6.750376 -0.638470 1.771899


