%chk=000088892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088892

0 1
 S   0.7880000      -1.227100      -1.221900    
 O   -1.902000      0.3367000       2.836000    
 O   0.2574000     -0.2276000      -2.133000    
 O   0.8683000      -2.619400      -1.629200    
 O    1.200700      -2.740200       1.483100    
 N  -8.9999996E-03  -1.116800      0.2768000    
 N  -0.3716000      -1.350100       2.461100    
 C   -1.022400     -1.2300000E-02  0.5442000    
 C  -0.4070000       1.369200      0.2708000    
 C   -2.408800     -0.2477000     -7.6600000E-02
 C   -1.173100     -0.2979000       2.080400    
 C   0.3645000      -1.850800       1.436900    
 C    2.416300     -0.7121000     -0.7627000    
 C  -0.7119000       2.049400     -0.9093000    
 C   -3.481400      0.5745000      0.2736000    
 C   0.4582000       1.946000       1.201700    
 C   -2.598900      -1.284600     -0.9920000    
 C  -0.1531000       3.303100      -1.157900    
 C   -4.739600      0.3607000     -0.2895000    
 C    1.016900       3.199700      0.9534000    
 C   -3.857000      -1.498400      -1.555100    
 C    3.332200      -1.662200     -0.3464000    
 C    2.742800      0.6309000     -0.8269000    
 C   0.7113000       3.878200     -0.2264000    
 C   -4.927200     -0.6758000      -1.203800    
 C    4.616200      -1.256000      1.7300000E-02
 C    4.026800       1.037100     -0.4634000    
 C    4.963400      9.3599997E-02 -4.1099999E-02
 H  -0.3132000      -1.690300       3.414200    
 H   -1.391000       1.643200      -1.653000    
 H   -3.357300       1.397200      0.9720000    
 H   0.7313000       1.438600       2.122000    
 H   -1.814800      -1.972700      -1.278300    
 H  -0.3925000       3.832600      -2.075300    
 H   -5.572300       1.003100     -1.8600000E-02
 H    1.694100       3.645500       1.676000    
 H   -4.005600      -2.309500      -2.261900    
 H    3.090100      -2.719200     -0.3065000    
 H    2.058700       1.373300      -1.211700    
 H    1.147500       4.853600     -0.4203000    
 H   -5.907000     -0.8429000      -1.641700    
 H    5.346800      -1.991000      0.3424000    
 H    4.301800       2.086200     -0.5230000    
 H    5.964200      0.4095000      0.2380000    


%chk=000088892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088892

0 1
S 0.870962 -1.194494 -1.274023
O -2.173469 0.415748 2.916357
O 0.288500 -0.046614 -2.251660
O 0.687591 -2.757631 -1.644509
O 1.189004 -2.581677 1.568762
N 0.001374 -0.875238 0.388191
N -0.538111 -1.247285 2.536449
C -1.094829 0.107254 0.642209
C -0.598455 1.557397 0.450901
C -2.406627 -0.235904 -0.093621
C -1.366692 -0.186158 2.179418
C 0.321387 -1.683268 1.481437
C 2.674758 -0.811412 -0.869472
C -0.863182 2.264195 -0.747292
C -3.510684 0.645595 0.034891
C 0.205672 2.166986 1.446871
C -2.561167 -1.442159 -0.817207
C -0.341256 3.561715 -0.938600
C -4.744931 0.332251 -0.570995
C 0.727627 3.464219 1.256005
C -3.797845 -1.749860 -1.427766
C 3.499915 -1.868914 -0.459190
C 3.091063 0.518483 -1.040449
C 0.454605 4.167925 0.060395
C -4.892608 -0.865426 -1.309477
C 4.855952 -1.557092 -0.204980
C 4.450668 0.802238 -0.775435
C 5.325069 -0.230918 -0.360849
H -0.521953 -1.684722 3.459526
H -1.462312 1.796956 -1.533242
H -3.406374 1.564668 0.620468
H 0.421793 1.638737 2.382967
H -1.728632 -2.146919 -0.917825
H -0.552588 4.095583 -1.871517
H -5.590675 1.020234 -0.463719
H 1.337795 3.926520 2.039633
H -3.900016 -2.680544 -1.996199
H 3.099935 -2.879052 -0.336413
H 2.391276 1.291070 -1.375870
H 0.852816 5.177944 -0.088342
H -5.850512 -1.106994 -1.783381
H 5.537969 -2.349784 0.118120
H 4.820837 1.825237 -0.896066
H 6.377150 -0.001592 -0.160101


