%chk=000030684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030684

0 1
 S   -2.845200      -1.556100      -1.178800    
 S   -2.583800     -0.2033000       1.006000    
 P   0.6498000     -9.3800001E-02  0.6369000    
 O    2.151700     -0.1781000      1.1700000E-02
 O   0.3410000       1.503400      0.5586000    
 O   0.6123000     -0.5767000       2.065600    
 N  -0.3455000     -0.8403000     -0.3940000    
 C    2.723300      -1.453600     -0.2245000    
 C   0.4978000       2.189300     -0.6723000    
 C   -1.614700     -0.8478000     -0.2377000    
 C   -3.847100     -0.3189000     -0.2979000    
 C    4.110800      -1.272700     -0.8023000    
 C   0.1498000       3.648700     -0.4714000    
 H    2.773400      -2.005500      0.7192000    
 H    2.094600      -2.010000     -0.9263000    
 H    1.533200       2.098700      -1.013900    
 H  -0.1623000       1.745500      -1.423500    
 H   -4.000600      0.6108000     -0.8550000    
 H   -4.820100     -0.6827000      4.3800000E-02
 H    4.582200      -2.240100     -0.9969000    
 H    4.067600     -0.7056000      -1.738100    
 H    4.743700     -0.7030000     -0.1140000    
 H   0.2601000       4.208900      -1.404100    
 H  -0.8807000       3.753400     -0.1160000    
 H   0.7962000       4.098200      0.2897000    


%chk=000030684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030684

0 1
S -3.154050 -0.947833 -1.672312
S -2.534320 -1.361290 1.082390
P 0.430902 0.471270 0.561312
O 1.920652 -0.031126 -0.155179
O 0.622333 2.165403 0.517441
O 0.066320 -0.133592 1.988923
N -0.772388 0.121452 -0.703597
C 2.255679 -1.487285 -0.141761
C 1.052119 2.836664 -0.755216
C -1.840908 -0.547065 -0.458749
C -3.924717 -1.797834 -0.148973
C 3.657323 -1.605768 -0.731487
C 0.984690 4.333337 -0.474235
H 2.212710 -1.854171 0.900668
H 1.509746 -2.032600 -0.752765
H 2.075867 2.498334 -0.994453
H 0.364395 2.531018 -1.565912
H -4.872918 -1.322413 0.129474
H -4.008880 -2.880754 -0.300431
H 3.968254 -2.666749 -0.749037
H 3.680864 -1.216545 -1.763421
H 4.382320 -1.038024 -0.124421
H 1.307558 4.895789 -1.370202
H -0.044059 4.637765 -0.218668
H 1.648006 4.600717 0.365412


