%chk=000072553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072553

0 1
 S  -0.5319000      0.8815000       2.459400    
 S   0.5326000     -0.8786000       2.457800    
 O   -1.319000       3.592500      0.2086000    
 O    1.314500      -3.592300      0.2083000    
 O    2.181100       2.610500      -1.979600    
 O   -2.183000      -2.603900      -1.981300    
 N   0.1503000       2.193400     -0.9141000    
 N  -0.1514000      -2.190500     -0.9155000    
 C   -1.899600       1.324900      6.8599999E-02
 C    1.900000      -1.326000      6.7400001E-02
 C   -1.778300      0.5468000       1.220000    
 C    1.776100     -0.5483000       1.222400    
 C   -2.885800       1.028700     -0.8725000    
 C    2.887100      -1.032300     -0.8734000    
 C   -2.643400     -0.5272000       1.430300    
 C    2.647300      0.5251000       1.428600    
 C   -1.023200       2.458900     -0.2023000    
 C    1.021300      -2.458300     -0.2032000    
 C   -3.750600     -4.5400001E-02 -0.6621000    
 C    3.754100      4.0100001E-02 -0.6632000    
 C   -3.629300     -0.8232000      0.4892000    
 C    3.634100      0.8187000      0.4877000    
 C    1.129500       3.206900      -1.240000    
 C   -1.132700      -3.202100      -1.241200    
 H   -2.991400       1.626200      -1.774500    
 H    2.991700      -1.630400      -1.775200    
 H   -2.580400      -1.144200       2.323300    
 H    2.586000       1.143400       2.321100    
 H   -4.518000     -0.2765000      -1.395000    
 H    4.522100      0.2693000      -1.396100    
 H   -4.303500      -1.658800      0.6530000    
 H    4.310000       1.652900      0.6513000    
 H   0.3410000       1.241900      -1.213900    
 H  -0.3400000      -1.238800      -1.215800    
 H    1.520200       3.631900     -0.3109000    
 H   0.6486000       3.987900      -1.835800    
 H   -1.524600      -3.625900     -0.3121000    
 H  -0.6532000      -3.984400      -1.836600    
 H    2.828100       3.310700      -2.170300    
 H   -2.831400      -3.302800      -2.171800    


%chk=000072553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072553

0 1
S -0.535176 1.043594 2.277594
S 0.537523 -1.064231 2.251389
O -1.399126 1.331085 -2.382714
O 1.422446 -1.402873 -2.403340
O 0.651753 3.351844 -2.513171
O -0.635698 -3.402479 -2.522101
N 0.099142 1.808319 -0.705263
N -0.091338 -1.838083 -0.728876
C -2.193477 0.953650 -0.122554
C 2.195055 -0.960812 -0.147807
C -2.063472 0.754508 1.289473
C 2.059331 -0.747667 1.261605
C -3.474040 0.740096 -0.700661
C 3.471323 -0.724829 -0.727108
C -3.188197 0.354828 2.060261
C 3.173055 -0.310606 2.028233
C -1.131109 1.371123 -1.128269
C 1.143486 -1.412940 -1.150535
C -4.587095 0.344846 0.067546
C 4.572773 -0.290426 0.036391
C -4.447717 0.151468 1.460079
C 4.426896 -0.080880 1.426075
C 1.089178 2.213422 -1.726337
C -1.075945 -2.254510 -1.750970
H -3.555718 0.895986 -1.781210
H 3.558410 -0.894801 -1.805136
H -3.059477 0.210127 3.137402
H 3.040361 -0.158502 3.103893
H -5.556592 0.191890 -0.417969
H 5.538747 -0.120112 -0.450389
H -5.302621 -0.153193 2.072498
H 5.273299 0.253827 2.034644
H 0.294445 1.920882 0.296804
H -0.294411 -1.933011 0.273496
H 1.291710 1.340127 -2.376084
H 2.003878 2.532497 -1.205504
H -1.274108 -1.387627 -2.410789
H -1.993889 -2.566493 -1.231474
H -0.107645 3.031734 -3.071282
H 0.129039 -3.089476 -3.077243


