%chk=000021400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021400

0 1
 O   -3.779500       1.408600     -0.4515000    
 N    2.645700      0.1189000     -2.5200000E-02
 N   -2.888600     -0.6781000      0.1892000    
 C    1.250600     -8.2099997E-02  2.8800000E-02
 C    3.187100       1.406700     -0.4116000    
 C    3.555700     -0.9555000      0.3183000    
 C   0.3827000      0.9621000     -0.2907000    
 C   0.7389000      -1.324700      0.4023000    
 C    3.353400       2.316300      0.7940000    
 C    3.882200      -1.808000     -0.8962000    
 C   -1.508600     -0.4790000      0.1369000    
 C  -0.9969000      0.7637000     -0.2365000    
 C  -0.6407000      -1.523300      0.4564000    
 C   -3.906700      0.2416000     -9.5299996E-02
 C   -5.275300     -0.3671000      8.1100002E-02
 H    4.185500       1.255100     -0.8441000    
 H    2.631300       1.894800      -1.218800    
 H    4.500300     -0.5209000      0.6730000    
 H    3.219900      -1.562600       1.165500    
 H   0.7145000       1.955300     -0.5710000    
 H    1.356600      -2.181600      0.6461000    
 H    2.392100       2.539600       1.267000    
 H    3.997300       1.856500       1.551300    
 H    3.810200       3.264200      0.4926000    
 H    2.991000      -2.302600      -1.294700    
 H    4.313000      -1.201900      -1.700300    
 H    4.608400      -2.582600     -0.6306000    
 H   -1.605900       1.619300     -0.4932000    
 H   -1.026600      -2.497800      0.7451000    
 H   -3.182300      -1.611500      0.4702000    
 H   -5.401100      -1.201000     -0.6152000    
 H   -6.043900      0.3840000     -0.1208000    
 H   -5.392200     -0.7266000       1.107400    


%chk=000021400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021400

0 1
O -3.873366 1.415289 -0.360746
N 2.689764 0.122552 -0.019833
N -2.966797 -0.687371 0.165087
C 1.297845 -0.062010 0.020160
C 3.285216 1.398286 -0.458750
C 3.621286 -0.945491 0.385156
C 0.388568 1.011042 -0.244520
C 0.718051 -1.334534 0.327852
C 3.433065 2.442174 0.675074
C 3.984186 -1.925495 -0.757395
C -1.561659 -0.430941 0.103694
C -1.006638 0.836785 -0.209942
C -0.676252 -1.505809 0.371804
C -4.022980 0.191150 -0.057352
C -5.412878 -0.429560 0.092023
H 4.283003 1.178194 -0.884513
H 2.686504 1.819141 -1.288238
H 4.545687 -0.466123 0.760572
H 3.197115 -1.500476 1.243290
H 0.767967 2.011713 -0.469871
H 1.352126 -2.204350 0.520653
H 2.451699 2.695441 1.112218
H 4.073137 2.050039 1.486313
H 3.894074 3.371816 0.291647
H 3.083818 -2.429601 -1.149707
H 4.460816 -1.387099 -1.596638
H 4.689953 -2.698853 -0.399838
H -1.677055 1.673821 -0.414030
H -1.079233 -2.499840 0.610246
H -3.221086 -1.647798 0.405082
H -5.966286 -0.298287 -0.854046
H -5.968135 0.119111 0.872544
H -5.403414 -1.503115 0.351505


