%chk=000056989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056989

0 1
 S   -4.067300       1.288200     -0.4427000    
 S    2.888600       1.284000     -0.6938000    
 O   -4.466500      0.6308000      -1.880200    
 O   -3.726900       2.682700     -0.6421000    
 O   -5.039400      0.8727000      0.5491000    
 O   -3.492600      -1.522400       1.007600    
 O  -0.3661000     -0.7582000       1.924200    
 N   0.5479000      0.7891000      0.4010000    
 N   -2.369800      -1.895900     -0.9890000    
 N    3.777600     -0.7079000      0.6506000    
 N    2.434400     -0.6111000      0.9702000    
 C   -2.573200      0.3709000     -0.1851000    
 C   -1.779000      0.9268000      0.9972000    
 C   -2.878500      -1.102600      2.9600000E-02
 C  -0.4512000      0.2062000       1.170100    
 C    5.505900      0.3899000     -0.7501000    
 C    4.143400      0.2205000     -0.2072000    
 C    6.558000      0.7175000      0.3363000    
 C    5.987500     -0.8258000      -1.577200    
 C    1.880900      0.3773000      0.3363000    
 C   -2.513700      -3.332900      -1.004700    
 H   -1.976700      0.5129000      -1.094800    
 H   -1.594600       2.000900      0.8735000    
 H   -2.342000      0.8215000       1.933400    
 H    5.516200       1.244000      -1.441900    
 H   0.3206000       1.589500     -0.1832000    
 H   -1.902500      -1.464400      -1.780500    
 H    7.539800      0.8975000     -0.1139000    
 H    6.654200     -0.1062000       1.052400    
 H    6.269400       1.614700      0.8948000    
 H    5.288900      -1.037900      -2.394000    
 H    6.973500     -0.6344000      -2.013300    
 H    6.056200      -1.724100     -0.9537000    
 H   -3.903200      0.9025000      -2.642600    
 H   -3.405800      -3.581700      -1.584800    
 H   -1.631800      -3.763400      -1.484800    
 H   -2.614800      -3.723400      1.0900000E-02


%chk=000056989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056989

0 1
S -2.767027 0.784428 -1.084554
S 3.428468 0.082705 0.499021
O -2.776355 -0.330023 -2.610655
O -1.600864 1.908186 -1.235919
O -4.269277 1.279595 -0.784842
O -3.487122 -1.867184 1.684238
O 1.001476 -0.798667 1.747960
N 0.702800 0.776622 0.049224
N -3.930707 -2.164955 -0.597847
N 3.769420 1.824123 -1.518156
N 2.376377 1.781503 -1.299066
C -2.061034 -0.718119 0.062750
C -1.288700 -0.105553 1.233184
C -3.244140 -1.631964 0.463840
C 0.234532 -0.082480 1.042247
C 5.967452 0.898050 -0.737307
C 4.466161 1.032930 -0.706726
C 6.608676 1.374661 0.593366
C 6.401286 -0.550523 -1.087390
C 2.041198 0.946954 -0.310295
C -5.089975 -3.047688 -0.410134
H -1.425378 -1.187965 -0.708511
H -1.655095 0.908043 1.484674
H -1.511402 -0.737652 2.111471
H 6.300441 1.571773 -1.549673
H 0.020954 1.347180 -0.491933
H -3.672063 -1.871735 -1.549994
H 7.710224 1.339841 0.513354
H 6.307193 0.724995 1.435873
H 6.309937 2.410119 0.832421
H 5.958093 -0.880398 -2.043193
H 7.501397 -0.601667 -1.177391
H 6.090158 -1.260928 -0.299080
H -3.014920 0.211869 -3.415059
H -6.001254 -2.591752 -0.837174
H -4.916933 -4.026872 -0.891232
H -5.236599 -3.199653 0.670105


