%chk=000173680.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173680

0 1
 S    2.951000     -0.5343000       2.137700    
 P    2.970600     -9.2500001E-02  0.2383000    
 O    1.663500      0.6619000     -0.3543000    
 O    4.157100      0.9125000     -0.2459000    
 O    3.158800      -1.320900     -0.8119000    
 O   -2.482300       3.093600     -0.1586000    
 O   -3.841000      -2.276600      0.1859000    
 O   -4.545400     -0.1979000      0.1435000    
 N   -3.621100      -1.044400      0.1134000    
 C   -1.984200      0.7690000     -9.0400003E-02
 C   0.3636000      0.2486000     -0.2398000    
 C   -2.278300     -0.5919000     -6.6000000E-03
 C  -0.6597000       1.190400     -0.2075000    
 C   7.6800004E-02  -1.110000     -0.1568000    
 C   -1.247800      -1.531400     -3.9900001E-02
 C   -3.064800       1.801200     -5.7000000E-02
 C    4.158900       2.262500      0.1873000    
 C    4.224000      -2.239700     -0.6373000    
 H  -0.3796000       2.237400     -0.2754000    
 H   0.8496000      -1.869100     -0.1872000    
 H   -1.436000      -2.600300      2.0900000E-02
 H   -3.735200       1.706300     -0.9166000    
 H   -3.600700       1.788300      0.8968000    
 H   -3.209300       3.739100     -0.1339000    
 H    5.009400       2.773600     -0.2706000    
 H    4.261500       2.310700       1.274000    
 H    3.237800       2.761800     -0.1235000    
 H    4.360200      -2.796000      -1.568100    
 H    3.978900      -2.943100      0.1621000    
 H    5.151300      -1.710800     -0.4015000    


%chk=000173680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173680

0 1
S 3.007809 -0.360955 2.240122
P 2.997248 -0.014675 0.213706
O 1.563682 0.692837 -0.496219
O 4.161513 1.070797 -0.431174
O 3.199884 -1.350626 -0.852463
O -2.499970 3.152120 -0.173047
O -3.936603 -2.428228 0.203096
O -4.739401 -0.297929 0.183603
N -3.760958 -1.149705 0.129637
C -2.117153 0.768280 -0.110258
C 0.259792 0.191006 -0.302130
C -2.388716 -0.631664 -0.022405
C -0.766663 1.154555 -0.247387
C -0.018133 -1.194891 -0.224296
C -1.352564 -1.596502 -0.079749
C -3.177964 1.856343 -0.054249
C 4.445553 2.333824 0.294174
C 4.356805 -2.254549 -0.626245
H -0.528749 2.217672 -0.309667
H 0.787475 -1.930435 -0.300034
H -1.623333 -2.653104 -0.015305
H -3.911291 1.706838 -0.872014
H -3.741627 1.781143 0.897286
H -3.175540 3.872762 -0.147830
H 5.381226 2.702909 -0.149941
H 4.578654 2.144437 1.375121
H 3.628007 3.055040 0.125677
H 4.178815 -3.102877 -1.302544
H 4.385004 -2.597443 0.424232
H 5.294800 -1.738979 -0.892599


