%chk=000040576.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040576

0 1
 O   -3.829200      -2.363500      0.4215000    
 N    1.834500       1.445900      0.2453000    
 N   -4.290700     -7.4199997E-02  0.4057000    
 C   0.1895000      2.6000001E-02 -0.2551000    
 C   0.4814000       1.363200      1.5600000E-02
 C    1.418900     -0.7030000     -0.1808000    
 C    2.426000      0.2097000      0.1334000    
 C   -1.147800     -0.3305000     -0.5279000    
 C   -2.137200      0.6592000     -0.5191000    
 C  -0.4967000       2.364100      2.7500000E-02
 C    1.767300      -2.059300     -0.3525000    
 C   -1.814100       1.986100     -0.2451000    
 C    3.766100     -0.1643000      0.2853000    
 C    2.541900       2.670400      0.5637000    
 C   -3.553800      0.2862000     -0.8062000    
 C    3.103400      -2.448600     -0.2040000    
 C    4.086300      -1.513400      0.1104000    
 C   -4.346000      -1.353900      0.8825000    
 H   -1.399600      -1.365200     -0.7440000    
 H  -0.2574000       3.401500      0.2350000    
 H    1.012000      -2.800600     -0.5977000    
 H   -2.588400       2.750100     -0.2391000    
 H    4.541700      0.5550000      0.5249000    
 H    2.870800       3.123900     -0.3745000    
 H    1.880300       3.348600       1.107000    
 H    3.398700       2.446100       1.203000    
 H   -4.089800       1.120300      -1.273400    
 H   -3.596200     -0.5527000      -1.511300    
 H    3.375200      -3.492500     -0.3360000    
 H    5.118500      -1.836000      0.2202000    
 H   -4.764900      0.6642000      0.9171000    
 H   -4.950300      -1.395800       1.803900    


%chk=000040576-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040576

0 1
O -4.981400 -2.150753 -0.930532
N 1.949632 1.565885 0.159635
N -4.133518 -0.511766 0.518201
C 0.183937 0.087189 -0.100342
C 0.555406 1.476388 -0.009482
C 1.416798 -0.684580 0.002745
C 2.488825 0.263473 0.154215
C -1.172899 -0.261828 -0.263309
C -2.154497 0.755733 -0.334594
C -0.409702 2.501861 -0.086943
C 1.709034 -2.067690 -0.021586
C -1.760567 2.121926 -0.245151
C 3.833828 -0.148201 0.272724
C 2.716952 2.804265 0.265188
C -3.623334 0.398036 -0.529232
C 3.050905 -2.486947 0.102329
C 4.098930 -1.535149 0.246817
C -4.761615 -1.708171 0.232449
H -1.475154 -1.312980 -0.339553
H -0.134817 3.560185 -0.033966
H 0.907166 -2.805245 -0.138092
H -2.529511 2.902024 -0.307756
H 4.652716 0.571797 0.372987
H 3.031929 3.183431 -0.726426
H 2.110749 3.579979 0.762869
H 3.617064 2.635043 0.879771
H -4.235799 1.320370 -0.553391
H -3.790822 -0.133649 -1.484488
H 3.292495 -3.554979 0.083318
H 5.133826 -1.884444 0.335610
H -3.978709 -0.255737 1.495913
H -5.057450 -2.258463 1.155374


