%chk=000106266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106266

1 1
 S    2.863800      0.9148000      7.5199999E-02
 O    3.440200      0.5457000      -1.408500    
 O    2.907500       2.363400      0.2015000    
 O    3.531000      6.2799998E-02   1.045800    
 O   -3.992900       1.406500      7.0000002E-03
 N   -2.856900     -0.6594000     -1.8100001E-02
 N    1.786200      -1.910300      6.5000001E-03
 N    2.545500      -2.693600     -3.0000001E-04
 C    1.183500      0.4290000      4.5600001E-02
 C   -1.509900     -0.2968000      3.5000001E-03
 C   0.8247000     -0.9187000      1.5500000E-02
 C   0.1954000       1.413700      5.4699998E-02
 C  -0.5220000      -1.281500     -5.5999998E-03
 C   -1.151300       1.050800      3.3700000E-02
 C   -3.979100      0.1799000     -1.3700000E-02
 C   -5.265700     -0.6064000     -4.2900000E-02
 H   0.4420000       2.471100      7.5900003E-02
 H  -0.7962000      -2.333900     -2.9100001E-02
 H   -1.858200       1.868500      4.2199999E-02
 H   -3.036800      -1.661000     -3.9400000E-02
 H    3.008400       1.017200      -2.159300    
 H   -5.317100      -1.196300     -0.9624000    
 H   -6.118700      7.7100001E-02 -1.0600000E-02
 H   -5.313100      -1.273100      0.8227000    


%chk=000106266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106266

1 1
S 2.977834 0.972651 0.037251
O 3.128726 0.947426 -1.789067
O 3.149813 2.458165 0.621984
O 3.727081 -0.325395 0.664389
O -3.994125 1.368844 -0.103171
N -2.908234 -0.709507 0.020728
N 1.755233 -1.911009 0.136851
N 2.352883 -2.900849 0.166441
C 1.170037 0.478998 0.016912
C -1.574037 -0.295683 0.014031
C 0.804772 -0.891994 0.075253
C 0.174390 1.454430 -0.050069
C -0.558850 -1.291135 0.079929
C -1.188475 1.085682 -0.044854
C -4.079157 0.119615 -0.036238
C -5.378458 -0.659252 -0.010613
H 0.455112 2.512614 -0.086849
H -0.813011 -2.355281 0.133449
H -1.972226 1.845930 -0.089721
H -3.086730 -1.717003 0.070559
H 4.009492 1.337110 -2.070564
H -5.463847 -1.326093 -0.888686
H -6.216906 0.050551 -0.029148
H -5.461015 -1.279315 0.901102


