%chk=000087936.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087936

0 1
 S   -1.277400      0.8481000     -0.9959000    
 S   -4.617300       1.392200      -1.957600    
 P   -3.336100       1.069200     -0.5070000    
 O   -3.752100     -0.2236000      0.4041000    
 O   -3.425400       2.207900      0.6633000    
 O    1.001000      -2.137100     -0.2377000    
 O    1.735800       2.320200      0.7917000    
 N   0.9460000      0.1476000      0.3323000    
 C    2.952200     -0.7946000     -0.1345000    
 C    3.170900      0.5400000      0.1739000    
 C    1.516800      -1.054500     -2.9999999E-02
 C    1.878500       1.152500      0.4799000    
 C  -0.4769000      0.3339000      0.5355000    
 C    3.985400      -1.645900     -0.4680000    
 C    4.434600       1.093600      0.1649000    
 C   -3.823700      -1.515800     -0.1755000    
 C   -4.230200      -2.514100      0.8976000    
 C    5.274900      -1.106500     -0.4843000    
 C    5.497300      0.2499000     -0.1707000    
 C   -4.313200      -3.928100      0.3514000    
 C   -3.141200       3.565100      0.3665000    
 H  -0.9183000     -0.6075000      0.8744000    
 H  -0.6350000       1.105100       1.295000    
 H    3.814800      -2.688600     -0.7086000    
 H    4.606100       2.136000      0.4062000    
 H   -2.847600      -1.781500     -0.5930000    
 H   -4.561200      -1.517100     -0.9835000    
 H   -3.511400      -2.476800       1.725000    
 H   -5.197000      -2.221900       1.324800    
 H    6.119800      -1.740100     -0.7416000    
 H    6.510500      0.6429000     -0.1908000    
 H   -3.345700      -4.252700     -4.4799998E-02
 H   -4.606700      -4.624100       1.143300    
 H   -5.053800      -3.995600     -0.4519000    
 H   -2.920600       4.086100       1.301600    
 H   -4.013100       4.031000     -9.8999999E-02
 H   -2.276700       3.649300     -0.2963000    


%chk=000087936-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087936

0 1
S -1.238581 1.852248 -1.009024
S -4.638471 1.311708 -2.223541
P -3.427030 1.275521 -0.555566
O -3.310580 -0.151078 0.411527
O -3.836666 2.285265 0.798082
O 0.018362 -1.554808 0.183338
O 2.220129 2.587135 0.645317
N 0.808825 0.673879 0.476302
C 2.423810 -0.938157 0.003684
C 3.088461 0.305577 0.142280
C 0.957899 -0.724405 0.211517
C 2.072130 1.360015 0.443625
C -0.454840 1.342054 0.684368
C 3.129600 -2.116656 -0.281436
C 4.479912 0.412535 -0.000301
C -3.210821 -1.468801 -0.295809
C -3.185626 -2.532738 0.800085
C 4.537646 -2.018847 -0.429734
C 5.202414 -0.773705 -0.291687
C -3.053306 -3.946185 0.188969
C -4.207043 3.685791 0.497503
H -1.175758 0.666883 1.171373
H -0.289652 2.264468 1.256681
H 2.606864 -3.072459 -0.385710
H 4.982077 1.378726 0.108728
H -2.275277 -1.486463 -0.884290
H -4.085632 -1.577204 -0.965281
H -2.327721 -2.330767 1.465301
H -4.108510 -2.456143 1.404139
H 5.122055 -2.917140 -0.655133
H 6.289895 -0.729579 -0.412740
H -2.110098 -4.043469 -0.379257
H -3.049020 -4.711995 0.984753
H -3.893022 -4.174722 -0.493975
H -4.488731 4.108514 1.472867
H -5.062702 3.721984 -0.200669
H -3.346991 4.237518 0.074416


