%chk=000176500.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176500

0 1
 S   -1.663700     -0.9017000       2.313800    
 O   0.9693000      0.7780000      -1.631300    
 O   -3.198200       1.821700     -0.5899000    
 O   -3.218400     -0.5704000      -1.629200    
 N  -0.2408000     -2.9000000E-03  0.2063000    
 N    2.148200     -0.6027000       1.399200    
 N   -1.482000      0.2756000     -0.3374000    
 N   0.9425000     -0.8604000       2.054000    
 C    3.447000      0.1984000     -0.4811000    
 C    2.145200     -7.6099999E-02  0.2173000    
 C    3.528100       1.701100     -0.7614000    
 C    3.484200     -0.5896000      -1.793700    
 C    4.601200     -0.2354000      0.4274000    
 C   0.8869000      0.2863000     -0.5166000    
 C  -0.1668000     -0.5638000       1.459900    
 C   -2.095000       1.521500     -0.1293000    
 C   -2.113900     -0.7177000      -1.102200    
 C   -1.474000      -2.684400       2.508500    
 C   -1.341400       2.514600      0.6988000    
 C   -1.379300      -2.011200      -1.267600    
 C   -1.861700       3.723200      0.9392000    
 C   -1.917700      -3.004000      -1.984800    
 H    3.252500       2.287900      0.1230000    
 H    4.552800       1.983600      -1.032300    
 H    2.898300       2.036700      -1.589400    
 H    2.844600     -0.1792000      -2.579200    
 H    3.186200      -1.633300      -1.637900    
 H    4.500400     -0.5978000      -2.206400    
 H    4.561200      -1.307600      0.6538000    
 H    4.600400      0.3112000       1.378100    
 H    5.568300     -4.3800000E-02 -5.2400000E-02
 H   -2.381000      -3.095900       2.959100    
 H  -0.6297000      -2.912900       3.164600    
 H   -1.318300      -3.168000       1.541200    
 H  -0.3695000       2.277900       1.111300    
 H  -0.4055000      -2.175100     -0.8260000    
 H   -1.310300       4.440200       1.538700    
 H   -2.828400       4.033200      0.5586000    
 H   -1.379600      -3.938700      -2.104400    
 H   -2.886700      -2.924000      -2.464200    


%chk=000176500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176500

0 1
S -1.912862 -1.406956 1.997469
O 0.753454 0.964917 -1.619840
O -2.909422 2.012821 -1.156355
O -3.508992 -0.713423 -1.587941
N -0.372291 -0.192634 0.080512
N 2.047744 -0.937261 1.232143
N -1.621128 0.153536 -0.491050
N 0.826450 -1.325960 1.823617
C 3.440728 0.203770 -0.457593
C 2.071968 -0.187878 0.117404
C 3.557904 1.759983 -0.479807
C 3.567726 -0.353979 -1.909742
C 4.581878 -0.379511 0.411451
C 0.838292 0.267662 -0.576708
C -0.321949 -0.952746 1.255165
C -2.063951 1.543041 -0.366600
C -2.287850 -0.827714 -1.344671
C -1.269288 -2.393862 3.470473
C -1.450449 2.303144 0.762617
C -1.426006 -1.931061 -1.861029
C -1.674757 3.637350 0.880210
C -1.990285 -2.980360 -2.513166
H 3.486192 2.174849 0.542522
H 4.544530 2.039823 -0.892195
H 2.776575 2.217041 -1.108438
H 2.794694 0.063408 -2.575281
H 3.493767 -1.457329 -1.916728
H 4.559121 -0.078567 -2.313236
H 4.533252 -1.480675 0.458688
H 4.532758 -0.005169 1.448119
H 5.552319 -0.084289 -0.028263
H -2.173749 -2.709092 4.013020
H -0.630103 -1.752636 4.091357
H -0.695916 -3.257944 3.109842
H -0.849205 1.769607 1.504959
H -0.341131 -1.866495 -1.740922
H -1.262079 4.215583 1.713244
H -2.283144 4.164066 0.135835
H -1.381309 -3.786950 -2.934057
H -3.078087 -3.033606 -2.638925


