%chk=000099802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099802

0 1
 S    4.791700      -2.951200      -1.125400    
 P   0.2231000      -1.094800      0.9601000    
 O   -1.291800      -1.072500      0.3662000    
 O   0.6467000      0.4752000      0.8990000    
 O    3.025100      -1.345900      -2.247300    
 O   0.2506000      -1.628100       2.370100    
 N    1.188900      -1.873100     -0.1396000    
 C    2.623300      -1.917200      9.2000000E-02
 C    3.037100      -3.196600      0.8143000    
 C    4.538100      -3.341000      0.6305000    
 C    3.341200      -1.949300      -1.233700    
 C   -2.342300     -0.4651000       1.099600    
 C   0.5113000       1.172200     -0.3280000    
 C   -3.618900     -0.5900000      0.3213000    
 C   0.9604000       2.591200     -0.1374000    
 C   -3.975400      0.4063000     -0.5808000    
 C   4.0399998E-02   3.557600      0.2539000    
 C   -4.433800      -1.700900      0.5085000    
 C    2.292300       2.926900     -0.3533000    
 C   -5.162100      0.2904000      -1.304700    
 C   0.4577000       4.876700      0.4313000    
 C   -5.620500      -1.816800     -0.2154000    
 C    2.709500       4.246100     -0.1757000    
 C   -5.984600     -0.8212000      -1.122000    
 C    1.792000       5.221000      0.2166000    
 H    2.971100      -1.027600      0.6305000    
 H    2.530600      -4.076700      0.3934000    
 H    2.775700      -3.157300       1.877500    
 H    4.886600      -4.350100      0.8649000    
 H    5.084600      -2.618500       1.244300    
 H   0.8632000      -2.776300     -0.4819000    
 H   -2.436200     -0.9560000       2.074700    
 H   -2.103100      0.5874000       1.287000    
 H    1.114000      0.6872000      -1.103300    
 H  -0.5301000       1.149100     -0.6656000    
 H   -3.340900       1.275300     -0.7321000    
 H   -1.000900       3.299600      0.4259000    
 H   -4.158700      -2.483200       1.210500    
 H    3.015300       2.174700     -0.6566000    
 H   -5.445300       1.065200      -2.011100    
 H  -0.2565000       5.635600      0.7374000    
 H   -6.260700      -2.682600     -7.3700003E-02
 H    3.748700       4.514100     -0.3421000    
 H   -6.908300     -0.9117000      -1.685900    
 H    2.117000       6.248000      0.3552000    


%chk=000099802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099802

0 1
S 3.855148 -2.570290 -1.210635
P -0.585411 0.113099 0.785157
O -1.907726 0.506843 -0.272175
O 0.358019 1.547554 0.978329
O 2.708265 -0.119832 -1.708116
O -0.958414 -0.477723 2.213753
N 0.265850 -0.902881 -0.322496
C 1.538698 -1.530963 -0.008007
C 1.490573 -3.072853 0.117279
C 2.939004 -3.593378 0.111572
C 2.636654 -1.178957 -1.059141
C -3.303663 0.417044 0.294758
C 0.708011 2.359016 -0.251467
C -3.919060 -0.936682 0.022094
C 1.827187 3.290234 0.140532
C -4.751406 -1.135350 -1.108417
C 1.570109 4.413541 0.968169
C -3.663517 -2.026147 0.896698
C 3.147711 3.054799 -0.318816
C -5.321253 -2.402728 -1.365647
C 2.617551 5.285200 1.335681
C -4.232024 -3.292778 0.638899
C 4.196173 3.930667 0.044422
C -5.062161 -3.484135 -0.491431
C 3.933780 5.045899 0.873005
H 1.904220 -1.106280 0.951616
H 0.932791 -3.488016 -0.742949
H 0.963014 -3.365430 1.041120
H 3.017598 -4.651606 -0.175820
H 3.448354 -3.427740 1.074297
H -0.198955 -1.126120 -1.204514
H -3.259553 0.633123 1.377847
H -3.836471 1.225545 -0.230753
H 1.018599 1.671130 -1.058830
H -0.208494 2.901167 -0.546578
H -4.953439 -0.296696 -1.786330
H 0.551508 4.593808 1.331624
H -3.011535 -1.871930 1.765248
H 3.347557 2.188484 -0.960203
H -5.966729 -2.546004 -2.239402
H 2.411582 6.148779 1.978022
H -4.034559 -4.127516 1.320777
H 5.213150 3.743702 -0.318213
H -5.507182 -4.466362 -0.687198
H 4.746544 5.724863 1.155339


