%chk=000173988.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173988

0 1
 S    3.023000      0.6787000     -7.4400000E-02
 O    3.042800       1.378100       1.399500    
 O    4.212800     -0.1468000     -0.1770000    
 O    2.728800       1.699100      -1.062900    
 N   -3.240300      -1.014200      3.3100002E-02
 N   -3.640000       1.254200      1.0900000E-02
 N   -4.103700      3.1000001E-03  3.2499999E-02
 C   0.3097000      6.6500001E-02 -2.8700000E-02
 C  -0.7279000     -0.9108000     -2.4999999E-03
 C    1.632800     -0.3987000     -4.1299999E-02
 C   -2.053100     -0.3830000      9.3000000E-03
 C   -2.310700       1.063300     -4.6999999E-03
 C   2.5200000E-02   1.465400     -4.1700002E-02
 C  -0.4364000      -2.289200      1.0300000E-02
 C    1.919800      -1.768500     -2.8800000E-02
 C   -1.273600       2.011600     -3.0500000E-02
 C   0.8906000      -2.708800     -3.1000001E-03
 H   0.8072000       2.216300     -2.4000001E-03
 H   -1.231000      -3.029800      3.0500000E-02
 H    2.937400      -2.147700     -3.4699999E-02
 H   -1.447900       3.080400     -2.8200001E-02
 H    1.124400      -3.769500      7.4000000E-03
 H   -5.101700     -0.1726000      4.8200000E-02
 H    3.159600      0.7612000       2.159900    


%chk=000173988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173988

0 1
S 3.143204 0.586139 -0.030901
O 2.963078 1.147353 1.733322
O 4.458653 -0.345567 -0.165365
O 3.005354 1.892737 -0.977974
N -3.325028 -1.057023 -0.012178
N -3.730140 1.261676 0.022272
N -4.222357 -0.018715 0.007220
C 0.293410 0.051503 -0.017678
C -0.784346 -0.919853 -0.025729
C 1.604605 -0.509983 -0.027539
C -2.120380 -0.382493 -0.010220
C -2.365808 1.034480 0.010943
C 0.010294 1.479421 0.001405
C -0.513706 -2.316360 -0.042064
C 1.889655 -1.875573 -0.040232
C -1.284571 1.973378 0.016756
C 0.803856 -2.792469 -0.051713
H 0.850935 2.177576 -0.009640
H -1.359657 -3.010904 -0.047794
H 2.928871 -2.219723 -0.045472
H -1.483211 3.048273 0.029974
H 1.007024 -3.867202 -0.064354
H -5.225949 -0.194347 0.010435
H 3.704013 1.795976 1.917226


