%chk=000170719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170719

0 1
 S    1.891200      0.5525000     -0.4189000    
 O    1.868800     -0.4566000      -1.463400    
 O    2.732300       1.729200     -0.5563000    
 O    3.901900      -1.734600      3.8699999E-02
 N   -1.535900      -3.468400     -0.1979000    
 C   0.2350000       1.079200     -0.1569000    
 C  -0.8436000      0.1845000     -6.3900001E-02
 C    2.337500     -0.2383000       1.107100    
 C   -2.147400      0.6922000      0.1480000    
 C   3.0999999E-02   2.454500     -4.1999999E-02
 C  -0.6565000      -1.202800     -0.1771000    
 C   -2.334400       2.079500      0.2612000    
 C    3.758300     -0.7665000       1.070300    
 C   -1.251100       2.953600      0.1668000    
 C   -3.226000     -0.2026000      0.2406000    
 C   -1.739400      -2.077300     -8.2300000E-02
 C   -3.021600      -1.578000      0.1261000    
 H    2.233100      0.5035000       1.904900    
 H    1.645600      -1.060100       1.296000    
 H   0.8459000       3.169000     -0.1065000    
 H   0.3101000      -1.665700     -0.3262000    
 H   -3.327900       2.491900      0.4246000    
 H    4.474900      3.7400000E-02  0.8768000    
 H    4.022200      -1.234900       2.023500    
 H   -1.409700       4.024400      0.2570000    
 H   -4.236900      0.1653000      0.4034000    
 H   -3.873400      -2.249300      0.2016000    
 H   -2.321100      -4.101900     -0.1287000    
 H  -0.6052000      -3.834100     -0.3487000    
 H    3.263500      -2.446700      0.2146000    


%chk=000170719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170719

0 1
S 2.070280 0.850207 -0.176041
O 2.373285 -0.168553 -1.450812
O 2.892125 2.262431 -0.105416
O 2.786656 -2.294862 0.177027
N -1.259351 -3.474681 -0.050311
C 0.219427 1.265335 -0.076639
C -0.771991 0.227656 -0.055594
C 2.474255 -0.176352 1.448941
C -2.152680 0.689338 0.021910
C -0.060273 2.627777 -0.051319
C -0.494287 -1.167897 -0.090324
C -2.440713 2.088404 0.050868
C 3.412466 -1.335528 1.087885
C -1.422209 3.047501 0.013246
C -3.191482 -0.299992 0.065662
C -1.537963 -2.114793 -0.031844
C -2.904526 -1.659325 0.043874
H 2.922269 0.584326 2.108822
H 1.495560 -0.521336 1.815795
H 0.764657 3.348734 -0.079605
H 0.533692 -1.531582 -0.182561
H -3.489045 2.405843 0.103253
H 4.364041 -0.946772 0.671359
H 3.641839 -1.893483 2.013739
H -1.657870 4.115571 0.033903
H -4.233466 0.036708 0.120003
H -3.714826 -2.397216 0.082352
H -2.004120 -4.165165 -0.031554
H -0.295828 -3.800895 -0.084571
H 2.701279 -1.802496 -0.699647


