%chk=000073339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073339

0 1
 S    3.108300       1.210500      0.8261000    
 O    1.582600     -0.2071000     -0.8157000    
 O    3.434500      -1.807300      0.5272000    
 O   -1.564000       2.355700     -0.3626000    
 N  -0.5835000      0.2844000     -0.1055000    
 N   -2.957800      0.5844000     -9.4800003E-02
 N   -4.380400      -1.234300      0.1819000    
 C   0.7573000      0.7899000     -0.2028000    
 C    1.343300       1.109300       1.164600    
 C    2.950000      0.2017000     -0.6715000    
 C    3.824600      -1.036200     -0.5977000    
 C  -0.7489000      -1.068400      8.1600003E-02
 C   -1.694500       1.141500     -0.1969000    
 C   -1.955200      -1.623200      0.1834000    
 C   -3.116200     -0.7010000      8.2699999E-02
 H   0.7597000       1.681600     -0.8448000    
 H   0.9473000       2.038200       1.584200    
 H    1.179300      0.3003000       1.883800    
 H    3.222300      0.8073000      -1.542300    
 H    4.885600     -0.7803000     -0.5096000    
 H    3.680800      -1.655200      -1.489400    
 H   0.1311000      -1.694400      0.1750000    
 H   -2.107700      -2.682400      0.3422000    
 H    4.002100      -2.596700      0.5439000    
 H   -4.535900      -2.227400      0.3201000    
 H   -5.201600     -0.6421000      0.1193000    


%chk=000073339-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073339

0 1
S 3.348541 1.384579 0.669129
O 1.598919 0.372250 -1.182705
O 2.582877 -1.730639 0.523185
O -1.656259 2.419006 -0.287348
N -0.507700 0.376525 -0.052454
N -2.934876 0.454069 -0.107531
N -4.169240 -1.495844 0.110572
C 0.772419 1.089734 -0.177647
C 1.546086 1.168537 1.158532
C 3.011302 0.254376 -0.836536
C 3.383821 -1.210510 -0.596006
C -0.528609 -0.990764 0.140070
C -1.747543 1.165114 -0.162789
C -1.727785 -1.669575 0.220205
C -2.936214 -0.884123 0.073249
H 0.527672 2.094451 -0.560142
H 1.230306 2.047603 1.739416
H 1.441697 0.242087 1.741261
H 3.612102 0.656765 -1.672135
H 4.469824 -1.269021 -0.380986
H 3.162792 -1.787035 -1.518702
H 0.448723 -1.483444 0.205454
H -1.748020 -2.751494 0.365397
H 3.044765 -2.497126 0.940590
H -4.269301 -2.499278 0.234271
H -4.993198 -0.907442 -0.003951


