%chk=000040079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040079

0 1
 O   -3.109700      -2.240800     -0.2918000    
 O    1.313000       2.350700     -0.1978000    
 O   -1.092500      -2.018700      0.7946000    
 N   7.2700001E-02  0.3664000      2.3900000E-02
 N    4.870100      -1.074100     -2.0700000E-02
 C   -1.251900      0.8126000      9.1000004E-03
 C   -2.313700     -8.5000001E-02  0.1205000    
 C   -1.503900       2.178400     -0.1193000    
 C   -3.627600      0.3831000      0.1033000    
 C    1.239500       1.132600     -7.6700002E-02
 C    2.509800      0.3610000     -5.8100000E-02
 C   -2.817800       2.646700     -0.1363000    
 C   -3.879500       1.749100     -2.5100000E-02
 C   -2.085700      -1.518500      0.2545000    
 C    3.651800      0.9705000      0.4038000    
 C    2.504800     -0.9397000     -0.5021000    
 C    4.809000      0.2085000      0.4023000    
 C    3.713300      -1.616200     -0.4631000    
 C   -3.001700      -3.666600     -0.2210000    
 H   0.1780000     -0.6328000      0.1640000    
 H  -0.7450000       2.941300     -0.2106000    
 H   -4.477800     -0.2866000      0.2026000    
 H   -3.015700       3.710200     -0.2353000    
 H   -4.902300       2.114500     -3.5000000E-02
 H    3.672600       1.992800      0.7629000    
 H    1.639800      -1.447200     -0.9105000    
 H    5.747800      0.6234000      0.7545000    
 H    3.786900      -2.642800     -0.8068000    
 H   -3.885600      -4.099100     -0.6969000    
 H   -2.110800      -4.004300     -0.7587000    
 H   -2.969100      -3.990700      0.8233000    


%chk=000040079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040079

0 1
O -3.233364 -2.269093 -0.176986
O 1.308535 2.416532 0.115664
O -0.930255 -2.037807 -0.122271
N 0.053709 0.427395 0.005879
N 4.993259 -1.101446 0.024744
C -1.270184 0.912732 0.000158
C -2.352165 -0.041281 -0.061680
C -1.577152 2.301921 0.052608
C -3.694963 0.426238 -0.067689
C 1.244209 1.148997 0.058275
C 2.504117 0.308959 0.043287
C -2.917296 2.729902 0.044514
C -3.984514 1.799492 -0.015128
C -2.083582 -1.495640 -0.120491
C 3.739855 0.998899 0.118466
C 2.540851 -1.108016 -0.042444
C 4.943318 0.263497 0.106740
C 3.796570 -1.756701 -0.048135
C -3.025289 -3.736199 -0.239608
H 0.097576 -0.607867 -0.035063
H -0.752948 3.015194 0.098798
H -4.498244 -0.313303 -0.114854
H -3.130507 3.803854 0.085490
H -5.022992 2.144655 -0.020582
H 3.733616 2.090846 0.183494
H 1.638782 -1.726123 -0.106124
H 5.911717 0.772241 0.164325
H 3.855706 -2.848893 -0.113828
H -4.039312 -4.157757 -0.268584
H -2.456331 -4.001289 -1.146057
H -2.473923 -4.081238 0.650582


