%chk=000012655.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012655

0 1
 O    1.834800     -0.5326000      0.8632000    
 O    2.242400      0.6306000      -1.108300    
 N    3.841300      0.5410000      0.5703000    
 C   -2.915200      0.5179000      0.4011000    
 C   -2.742600       1.936000     -0.1801000    
 C   -1.725200     -0.3870000      0.1313000    
 C   -3.204300      0.5905000       1.905300    
 C   -2.628900       1.950100      -1.699700    
 C  -0.4873000     -3.2000002E-02  0.6304000    
 C   -1.914400      -1.539700     -0.6055000    
 C   0.6052000     -0.8631000      0.3827000    
 C  -0.8219000      -2.370700     -0.8533000    
 C   0.4380000      -2.032400     -0.3592000    
 C    2.617600      0.2578000     -6.0000003E-04
 C    4.860400       1.333600     -7.7500001E-02
 H   -3.806600      7.8599997E-02 -6.7900002E-02
 H   -1.866800       2.436900      0.2490000    
 H   -3.613300       2.542800      9.9299997E-02
 H   -2.400100       1.088600       2.457700    
 H   -4.127400       1.150500       2.091500    
 H   -3.332100     -0.4116000       2.330100    
 H   -2.590700       2.982100      -2.063000    
 H   -1.720300       1.444700      -2.040500    
 H   -3.491900       1.460900      -2.162400    
 H  -0.3443000      0.8753000       1.209800    
 H   -2.889900      -1.813400     -0.9957000    
 H  -0.9520000      -3.281100      -1.431100    
 H    1.284800      -2.684300     -0.5559000    
 H    4.036500      0.1714000       1.495600    
 H    5.752900      0.7138000     -0.1916000    
 H    5.091700       2.184700      0.5675000    
 H    4.527900       1.688800      -1.055600    


%chk=000012655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012655

0 1
O 2.041203 -0.689506 -0.053653
O 2.006774 1.591692 0.669985
N 3.985693 0.398180 0.251855
C -2.846989 0.608363 0.405192
C -2.792955 1.880975 -0.490210
C -1.737249 -0.392117 0.067065
C -2.811194 0.994973 1.908437
C -2.994201 1.593733 -1.993155
C -0.375032 -0.005593 0.183775
C -2.050422 -1.707735 -0.352011
C 0.637602 -0.939500 -0.121684
C -1.022246 -2.632699 -0.650863
C 0.329953 -2.255226 -0.538539
C 2.620856 0.551731 0.327870
C 4.909498 1.486052 0.579823
H -3.817714 0.107433 0.207146
H -1.822867 2.394253 -0.335017
H -3.575840 2.582959 -0.138286
H -1.866760 1.510670 2.162914
H -3.646808 1.677041 2.153984
H -2.890989 0.101387 2.553473
H -2.958951 2.527016 -2.584641
H -2.209762 0.917343 -2.377845
H -3.973719 1.112696 -2.178337
H -0.102268 1.001168 0.504811
H -3.100642 -2.008562 -0.444798
H -1.273659 -3.648981 -0.973821
H 1.144224 -2.949840 -0.764813
H 4.337776 -0.511531 -0.046411
H 5.528423 1.764000 -0.293275
H 5.575152 1.207603 1.417558
H 4.311414 2.360721 0.880372


