%chk=000003489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003489

0 1
 S   -2.062800       1.125400     -0.6785000    
 S    1.558000      -1.019300      0.2208000    
 O    1.692500      -2.262300     -0.5143000    
 O    1.205000      -1.031500       1.628000    
 N   -2.793200      -1.106600      0.3462000    
 N   0.5011000      3.9900001E-02 -0.6373000    
 N   -1.423800      -1.205800      0.1722000    
 C   -4.667600      0.4797000     -9.8000001E-03
 C   -3.194600      4.1000001E-02 -5.8699999E-02
 C   -5.528200     -0.6558000      0.5851000    
 C   -5.162800      0.7977000      -1.437400    
 C   -4.916300       1.739500      0.8505000    
 C  -0.9184000     -0.1105000     -0.3536000    
 C    3.092600     -0.1486000      8.6000003E-02
 C    3.433300      0.7714000       1.061000    
 C    3.920600     -0.4054000     -0.9919000    
 C    4.643000       1.457800      0.9547000    
 C    5.130300      0.2810000      -1.098200    
 C    5.491500       1.212500     -0.1249000    
 H   -6.588400     -0.3788000      0.6136000    
 H   -5.446100      -1.572600     -1.0700000E-02
 H   -5.220700     -0.8959000       1.609700    
 H   -4.986000     -4.6999998E-02  -2.113800    
 H   -6.240100       1.001900      -1.441800    
 H   -4.669100       1.676300      -1.867400    
 H   -5.984000       1.981200      0.9058000    
 H   -4.552100       1.590000       1.873600    
 H   -4.403100       2.619600      0.4475000    
 H   0.8128000      0.9847000     -0.8919000    
 H    2.783000      0.9824000       1.904200    
 H    3.653400      -1.121200      -1.763000    
 H    4.923400       2.184700       1.711400    
 H    5.790200      9.1600001E-02  -1.939800    
 H    6.432900       1.747700     -0.2081000    


%chk=000003489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003489

0 1
S -2.037897 1.377368 -0.445126
S 1.683405 -1.105442 0.592442
O 1.625171 -2.427128 -0.330831
O 1.548086 -1.176129 2.205381
N -2.852635 -1.031599 0.408016
N 0.488371 0.184217 -0.126104
N -1.453749 -1.107357 0.413092
C -4.832980 0.471308 -0.102159
C -3.360455 0.121581 0.012933
C -5.678651 -0.734304 0.389766
C -5.174879 0.777864 -1.590809
C -5.143556 1.720303 0.774367
C -0.874977 0.021974 0.002793
C 3.253266 -0.127604 0.169655
C 3.815894 0.671559 1.177884
C 3.806939 -0.299332 -1.109447
C 5.009414 1.364928 0.866025
C 4.999706 0.404072 -1.398933
C 5.592150 1.233843 -0.416922
H -6.751846 -0.486029 0.295828
H -5.466237 -1.638000 -0.205479
H -5.456893 -0.970821 1.444088
H -4.950803 -0.091569 -2.233892
H -6.251596 1.010874 -1.682073
H -4.601511 1.644196 -1.968807
H -6.221550 1.956666 0.710938
H -4.890028 1.533055 1.832839
H -4.577210 2.606856 0.434040
H 0.905433 1.115868 -0.213867
H 3.354020 0.725987 2.169405
H 3.336874 -0.968541 -1.837315
H 5.482350 1.996814 1.624546
H 5.464624 0.298222 -2.384313
H 6.518050 1.771001 -0.648764


