%chk=000042070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042070

0 1
 O    2.963200      -1.455800      0.6223000    
 N    3.985200       1.081200     -3.8600001E-02
 C  -0.1512000      0.3449000     -1.4200000E-02
 C   -1.576600      9.6400000E-02 -7.8999996E-03
 C   0.7371000     -0.6806000      0.3099000    
 C    2.111300     -0.4408000      0.3033000    
 C   0.3344000       1.610000     -0.3450000    
 C    2.596800      0.8244000     -2.7700000E-02
 C    1.708400       1.849800     -0.3517000    
 C   -2.314900      0.3010000       1.157900    
 C   -2.212800     -0.3469000      -1.167400    
 C   -3.689100      6.1900001E-02   1.164300    
 C   -3.587100     -0.5859000      -1.161000    
 C   -4.325100     -0.3815000      4.9000001E-03
 C    3.420600      -2.278000     -0.4490000    
 H   0.3675000      -1.670400      0.5699000    
 H  -0.3445000       2.420400     -0.6001000    
 H    2.073700       2.840100     -0.6114000    
 H   -1.834800      0.6465000       2.070500    
 H   -1.652400     -0.5113000      -2.084700    
 H   -4.264000      0.2210000       2.071900    
 H   -4.082500     -0.9311000      -2.063700    
 H   -5.395100     -0.5676000      9.7000003E-03
 H    4.635500      0.3478000      0.2099000    
 H    4.328600       2.002100     -0.2772000    
 H    3.944000      -1.681500      -1.202800    
 H    2.580400      -2.808400     -0.9084000    
 H    4.117800      -3.015100     -4.1400000E-02


%chk=000042070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042070

0 1
O 3.359746 -1.131382 0.286132
N 4.114883 1.316054 -0.451970
C -0.056191 0.421062 -0.266613
C -1.505423 0.089298 -0.193053
C 0.934593 -0.550720 0.065724
C 2.301063 -0.238911 -0.003040
C 0.388860 1.707648 -0.665772
C 2.748988 1.061738 -0.403807
C 1.761242 2.024561 -0.731917
C -2.004262 -0.842897 0.761446
C -2.443962 0.695100 -1.077043
C -3.377979 -1.158723 0.827933
C -3.818916 0.386461 -1.007229
C -4.296501 -0.544948 -0.055404
C 3.002966 -2.487649 0.695534
H 0.618289 -1.562162 0.339023
H -0.345986 2.487400 -0.893322
H 2.075743 3.032120 -1.029549
H -1.314114 -1.298399 1.481271
H -2.087463 1.390680 -1.845418
H -3.734260 -1.874196 1.578293
H -4.517163 0.863583 -1.704784
H -5.363735 -0.787423 -0.003015
H 4.761279 0.570635 -0.208233
H 4.469843 2.217900 -0.752219
H 2.436808 -3.010756 -0.099821
H 2.406830 -2.480297 1.629141
H 3.959223 -3.003175 0.870010


