%chk=000081794.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081794

0 1
 S   0.5971000      -1.764400      0.2303000    
 O   -1.588100      -2.536300     -0.7174000    
 O    1.368600      -2.821500     -0.3979000    
 O   0.1685000      -1.905200       1.609400    
 N  -0.7596000      -1.359700     -0.7694000    
 C    1.577000     -0.2944000      0.1181000    
 C   -1.539200     -0.2247000     -0.3919000    
 C    1.867500      0.4110000       1.271600    
 C    2.031200      0.1190000      -1.120900    
 C   -2.130300     -0.1735000      0.8704000    
 C   -1.710700      0.8322000      -1.285700    
 C    2.639000       1.569600       1.183000    
 C    2.802800       1.277700      -1.209500    
 C    3.106700       2.003000     -5.7500001E-02
 C   -2.892900      0.9348000       1.239000    
 C   -2.473200       1.940600     -0.9171000    
 C   -3.064300       1.991900      0.3453000    
 H    1.516700      9.4400004E-02   2.248500    
 H    1.801500     -0.4379000      -2.024400    
 H   -2.057000     -0.9939000       1.576700    
 H   -1.254200      0.8017000      -2.271600    
 H    2.875900       2.134600       2.079900    
 H    3.166800       1.615300      -2.175400    
 H    3.707300       2.905200     -0.1264000    
 H   -3.361500      0.9707000       2.218100    
 H   -2.606900       2.763500      -1.613200    
 H   -3.659800       2.853900      0.6314000    
 H   -2.044700      -2.529800      -1.576200    


%chk=000081794-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081794

0 1
S 0.981297 1.026979 -1.314338
O -2.583184 -2.074329 -1.863895
O 0.556070 -0.730863 -0.968576
O 0.281220 1.984344 -0.157418
N -2.150824 -1.085283 -1.166917
C 2.752224 0.817431 -0.690155
C -3.106499 -0.415429 -0.321956
C 3.134494 1.597614 0.412523
C 3.625375 -0.073619 -1.340937
C -4.458209 -0.855377 -0.202342
C -2.623286 0.718169 0.392515
C 4.461697 1.481287 0.885732
C 4.949890 -0.180171 -0.856081
C 5.366153 0.597347 0.251232
C -5.327299 -0.151460 0.644237
C -3.516729 1.416523 1.232004
C -4.857790 0.984588 1.361363
H 2.394728 2.257177 0.882014
H 3.283457 -0.686887 -2.180770
H -4.783521 -1.732816 -0.770887
H -1.583241 1.057706 0.278855
H 4.786237 2.076003 1.746396
H 5.649285 -0.871838 -1.337743
H 6.393900 0.510982 0.621091
H -6.368009 -0.473340 0.756090
H -3.164634 2.294177 1.782898
H -5.543507 1.529257 2.020173
H -0.465096 -0.840373 -1.127909


