%chk=000046258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046258

0 1
 O    1.605200      0.1050000      -1.886100    
 N    3.679700      0.4657000      4.1200001E-02
 C    1.451300     -0.3978000     -0.5559000    
 C    2.264800      0.4667000      0.4336000    
 C  -3.4299999E-02 -0.4186000     -0.2660000    
 C    2.173600     -4.4599999E-02   1.872600    
 C  -0.7294000      0.7767000     -0.2153000    
 C  -0.6640000      -1.633200     -5.8499999E-02
 C   -2.098300      0.7569000      5.1700000E-02
 C   -2.033000      -1.653100      0.2084000    
 C   -2.750100     -0.4580000      0.2636000    
 C   -2.865400       2.034400      0.1108000    
 H    1.845700      -1.421700     -0.5624000    
 H    1.933000       1.510600      0.4065000    
 H    2.810100      0.5485000       2.539400    
 H    1.150700      2.8200001E-02   2.255600    
 H    2.489600      -1.091200       1.948300    
 H  -0.2296000       1.725600     -0.3878000    
 H  -0.1165000      -2.570100     -9.8200001E-02
 H    3.766200      0.7765000     -0.9258000    
 H    4.041900     -0.4872000      6.2600002E-02
 H   -2.540300      -2.599000      0.3740000    
 H   -3.815800     -0.4869000      0.4744000    
 H    1.768600       1.062100      -1.839600    
 H   -2.812700       2.457800       1.118700    
 H   -2.466200       2.765900     -0.6000000    
 H   -3.918200       1.878300     -0.1480000    


%chk=000046258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046258

0 1
O 1.781302 0.514153 -1.776912
N 3.742554 0.614825 0.173235
C 1.493965 -0.283857 -0.557595
C 2.333619 0.421848 0.561686
C 0.003029 -0.335668 -0.270457
C 2.261230 -0.347557 1.891949
C -0.772433 0.852455 -0.306922
C -0.630655 -1.561465 0.052484
C -2.158298 0.840626 -0.014421
C -2.012786 -1.590344 0.342031
C -2.771454 -0.398818 0.308229
C -2.966324 2.127591 -0.022488
H 1.886674 -1.317320 -0.690355
H 1.883130 1.425258 0.698242
H 2.833931 0.195980 2.662478
H 1.219835 -0.463763 2.236588
H 2.702368 -1.359501 1.789011
H -0.281991 1.795577 -0.577605
H -0.044704 -2.488930 0.073183
H 3.824975 1.041454 -0.757599
H 4.295754 -0.249123 0.237503
H -2.500970 -2.541144 0.584587
H -3.845717 -0.428882 0.528150
H 1.164332 0.224079 -2.495089
H -2.926660 2.626384 0.965492
H -2.578319 2.845971 -0.766159
H -4.029787 1.937673 -0.251444


