%chk=000121239.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121239

0 1
 S    1.209800      0.1174000     -0.6746000    
 O   -3.985800     -0.1260000     -0.5675000    
 O   0.4854000      8.7000001E-03   1.856600    
 N    5.214000      0.2423000     -7.3600002E-02
 N   -1.260100      3.1900000E-02  0.3088000    
 C    3.944400      0.1844000     -0.7918000    
 C    6.335000      0.2746000      -1.013800    
 C    5.343500     -0.8983000      0.8339000    
 C    2.788100      0.1894000      0.2003000    
 C   -2.089500       1.194100      0.2031000    
 C   -1.908900      -1.222200      7.9499997E-02
 C   -3.410000       1.074400     -0.2432000    
 C   -3.242300      -1.255300     -0.3428000    
 C   8.1699997E-02  8.9000002E-02  0.7003000    
 C    6.219300       1.452700      -1.965900    
 C    6.631400     -0.8185000       1.635700    
 C   -1.644200       2.469600      0.5903000    
 C   -1.233600      -2.447100      0.2154000    
 C   -4.240600       2.194700     -0.3639000    
 C   -3.894700      -2.468400     -0.5919000    
 C   -2.473400       3.589800      0.4757000    
 C   -1.884600      -3.660200     -3.0500000E-02
 C   -3.768600       3.454300     -1.0700000E-02
 C   -3.216300      -3.671500     -0.4296000    
 H    3.897900     -0.7045000      -1.435700    
 H    3.814300       1.066700      -1.427700    
 H    7.280700      0.4172000     -0.4808000    
 H    6.415300     -0.6566000      -1.588900    
 H    4.560900     -0.8955000       1.596600    
 H    5.291600      -1.857200      0.3034000    
 H    2.816000       1.085400      0.8301000    
 H    2.784900     -0.6952000      0.8392000    
 H    5.466200       1.291500      -2.743600    
 H    5.994900       2.385200      -1.436400    
 H    7.173500       1.597000      -2.485700    
 H    7.512800      -1.070900       1.038100    
 H    6.773600      0.1730000       2.079500    
 H    6.597600      -1.541600       2.458800    
 H  -0.6377000       2.617300      0.9742000    
 H  -0.1940000      -2.489300      0.5297000    
 H   -5.261100       2.086500     -0.7222000    
 H   -4.931400      -2.478100     -0.9182000    
 H   -2.102700       4.568400      0.7675000    
 H   -1.346700      -4.596200      9.0800002E-02
 H   -4.412400       4.323900     -0.1003000    
 H   -3.720900      -4.613400     -0.6219000    


%chk=000121239-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121239

0 1
S 1.187256 1.811881 0.401132
O -2.998302 -0.262983 -1.288969
O 1.116311 -0.821292 1.175152
N 4.886590 0.038259 -0.413352
N -0.985474 0.073290 0.642516
C 3.527508 0.567881 -0.676034
C 5.827369 0.184888 -1.553370
C 4.861918 -1.330615 0.173743
C 2.991604 1.257957 0.592884
C -1.830987 1.198567 0.311881
C -1.624315 -1.225293 0.527623
C -2.815573 1.009125 -0.691227
C -2.618290 -1.366440 -0.475712
C 0.409327 0.154237 0.814221
C 6.295574 1.638200 -1.761214
C 6.084525 -1.627706 1.062338
C -1.769046 2.443927 0.976638
C -1.301580 -2.340696 1.331953
C -3.654582 2.057897 -1.105457
C -3.261020 -2.593973 -0.707176
C -2.603003 3.506355 0.564948
C -1.940402 -3.580015 1.101783
C -3.531611 3.320831 -0.486095
C -2.910300 -3.711867 0.081431
H 2.818205 -0.232859 -0.986932
H 3.567180 1.301688 -1.500574
H 6.712612 -0.440878 -1.337727
H 5.385038 -0.209608 -2.503364
H 3.943635 -1.418090 0.783283
H 4.778388 -2.107813 -0.627312
H 3.555021 2.175424 0.827331
H 3.016557 0.574756 1.456475
H 5.449682 2.314900 -1.981632
H 6.799061 2.008251 -0.851078
H 7.002553 1.700059 -2.609757
H 7.032120 -1.575271 0.495367
H 6.141944 -0.896313 1.887444
H 6.008805 -2.643737 1.493220
H -1.058798 2.586807 1.795432
H -0.537551 -2.242825 2.104031
H -4.390831 1.866806 -1.891385
H -4.018280 -2.653346 -1.494151
H -2.529247 4.474219 1.070503
H -1.673129 -4.442793 1.720264
H -4.174298 4.147002 -0.806795
H -3.398865 -4.675393 -0.095979


