%chk=000080635.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080635

0 1
 S    1.898200      -2.041400     -0.2159000    
 O    3.065200      -2.653000      0.3920000    
 O    1.516500      -2.403900      -1.567300    
 O   -4.657000      0.6242000      -1.318800    
 O   -4.601500       1.680000      0.6934000    
 N   0.5534000      -2.221500      0.8456000    
 N    2.771900       3.839000     -9.2100002E-02
 C    2.158900     -0.2911000     -0.1793000    
 C  -0.6197000      -1.443000      0.6081000    
 C    3.013000      0.2428000      0.7686000    
 C    1.502200      0.5071000      -1.098100    
 C   -1.077700     -0.5564000       1.582600    
 C   -1.308800      -1.570600     -0.5980000    
 C    3.217400       1.622400      0.7983000    
 C    1.706700       1.886600      -1.068600    
 C    2.564400       2.444300     -0.1204000    
 C   -2.913700      7.5499997E-02  0.1448000    
 C   -2.224700      0.2027000       1.351000    
 C   -2.455700     -0.8111000     -0.8296000    
 C   -4.109200      0.8676000     -9.6500002E-02
 H   0.7817000      -2.368100       1.837700    
 H    3.523700     -0.3789000       1.497300    
 H   0.8367000      9.4599999E-02  -1.849400    
 H  -0.5478000     -0.4476000       2.525400    
 H  -0.9907000      -2.274000      -1.361300    
 H    3.886800       2.045200       1.543100    
 H    1.193100       2.516200      -1.790700    
 H   -2.564600      0.8884000       2.122800    
 H   -2.964800     -0.9459000      -1.779900    
 H    2.296600       4.435100     -0.7565000    
 H    3.391600       4.244600      0.5966000    
 H   -5.462000       1.163500      -1.471800    


%chk=000080635-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080635

0 1
S 1.925199 -1.957593 -0.176895
O 3.051843 -2.737603 0.696202
O 1.482769 -2.396380 -1.673100
O -4.995185 0.543509 -1.336071
O -5.181056 1.235992 0.873514
N 0.373869 -2.185003 0.921525
N 3.285049 3.943508 -0.241186
C 2.344228 -0.139612 -0.206735
C -0.805843 -1.458958 0.669194
C 3.224277 0.358418 0.774079
C 1.775821 0.675082 -1.205528
C -1.461917 -0.759804 1.727439
C -1.388879 -1.468137 -0.633602
C 3.541216 1.726036 0.757116
C 2.093479 2.042803 -1.214127
C 2.974735 2.591610 -0.230984
C -3.255770 -0.104251 0.192841
C -2.682047 -0.107940 1.492289
C -2.593648 -0.786244 -0.864784
C -4.534336 0.613569 -0.007055
H 0.721901 -2.207165 1.892459
H 3.672370 -0.317767 1.509625
H 1.120977 0.242700 -1.968226
H -1.011885 -0.742211 2.727454
H -0.894731 -2.029316 -1.432337
H 4.233585 2.132272 1.503208
H 1.664680 2.693089 -1.984790
H -3.201902 0.421482 2.297565
H -3.048422 -0.792087 -1.859221
H 2.890056 4.565627 -0.941047
H 3.916399 4.341096 0.448862
H -5.856729 1.036576 -1.394583


