%chk=000168674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168674

0 1
 S  -0.4868000       1.439500      0.7259000    
 O   -2.414200      -2.584600     -0.5797000    
 O   -4.262900     -9.9299997E-02  -1.993000    
 O    2.185000      -1.804300       1.477000    
 O   -5.507200     -0.5473000     -0.1272000    
 N   -2.342400     -0.4243000      0.3629000    
 N   0.5545000      -1.324700     -0.1029000    
 C   -1.260000     -9.9399999E-02   1.273900    
 C  -0.5947000      -1.409300      0.7978000    
 C   -1.940100      -1.678900      6.5399997E-02
 C   -3.348600      0.4323000      5.0200000E-02
 C   -2.019400       2.410200      0.9236000    
 C   -3.265600       1.754200      0.3331000    
 C    1.867300      -1.533200      0.3220000    
 C   -4.371500       2.753400      9.1899998E-02
 C   -4.503200     -0.1285000     -0.6673000    
 C    2.863500      -1.383400     -0.8110000    
 C    3.876800     -0.2950000     -0.5742000    
 C    3.605800      0.9963000      -1.004500    
 C    5.067600     -0.5987000      7.0500001E-02
 C    4.544600       2.004500     -0.7855000    
 C    6.006500      0.4094000      0.2896000    
 C    5.744900       1.711000     -0.1385000    
 H   -1.567800     -0.1148000       2.326100    
 H  -0.4275000      -2.129100       1.608900    
 H   0.3988000      -1.092900      -1.080900    
 H   -1.838400       3.371100      0.4301000    
 H   -2.181900       2.607000       1.989000    
 H   -5.292200       2.294100     -0.2779000    
 H   -4.054100       3.497900     -0.6457000    
 H   -4.619200       3.271200       1.024600    
 H    3.369800      -2.350300     -0.9287000    
 H    2.357500      -1.207400      -1.768100    
 H   -5.010700     -0.4653000      -2.511900    
 H    2.673000       1.235100      -1.507500    
 H    5.280400      -1.608700      0.4093000    
 H    4.340600       3.018000      -1.118100    
 H    6.940900      0.1811000      0.7939000    
 H    6.475800       2.495900      3.2299999E-02


%chk=000168674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168674

0 1
S -0.343678 0.924875 1.701017
O -1.223068 -1.011136 -2.252893
O -4.631065 1.571558 -1.678461
O 1.730125 -3.425870 0.738283
O -4.365639 -0.733690 -1.625422
N -2.057132 -0.377739 -0.041306
N 1.124816 -1.300836 0.008399
C -1.169048 -0.671780 1.096527
C -0.288794 -1.552907 0.128085
C -1.215871 -1.000350 -1.014394
C -3.049726 0.630805 -0.097401
C -2.019859 1.790277 1.931668
C -3.067151 1.648386 0.832295
C 2.061847 -2.283253 0.306071
C -4.145166 2.708936 0.933125
C -4.057296 0.392453 -1.176867
C 3.541003 -1.914224 0.065754
C 3.831184 -0.480844 -0.346869
C 3.769467 -0.091903 -1.711711
C 4.149232 0.503612 0.625369
C 4.018927 1.245424 -2.094907
C 4.400587 1.841305 0.245390
C 4.335610 2.216597 -1.116665
H -1.656332 -1.172899 1.945779
H -0.421094 -2.632199 0.321145
H 1.451105 -0.392761 -0.333423
H -1.765494 2.858750 2.052200
H -2.442935 1.445719 2.894587
H -5.064434 2.437388 0.397311
H -3.784052 3.661717 0.498717
H -4.387368 2.905898 1.995304
H 4.070550 -2.176292 0.999504
H 3.902314 -2.627015 -0.699456
H -5.268234 1.319849 -2.401618
H 3.529722 -0.841041 -2.476409
H 4.202918 0.218471 1.683225
H 3.968652 1.527242 -3.152435
H 4.648190 2.587341 1.008745
H 4.532086 3.252934 -1.412861


