%chk=000041470.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041470

0 1
 O   -2.647400     -0.3090000     -0.4670000    
 N  -0.6576000      0.1575000     -5.3800002E-02
 N   -1.913900      0.3793000      0.2494000    
 C  -8.8699996E-02  -1.068300      0.5209000    
 C    1.279600      -1.380800     -0.1047000    
 C   0.2082000       1.325800      0.1774000    
 C    2.154300     -0.1713000     -0.2343000    
 C    1.665500       1.066800     -8.7899998E-02
 H  -0.7416000      -1.933800      0.3452000    
 H   1.6500000E-02 -0.9672000       1.610600    
 H    1.143000      -1.816500      -1.101900    
 H    1.788400      -2.131300      0.5110000    
 H   0.1138000       1.688200       1.210600    
 H  -0.1091000       2.142200     -0.4849000    
 H    3.208900     -0.3160000     -0.4455000    
 H    2.331600       1.920800     -0.1626000    


%chk=000041470-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041470

0 1
O -2.580771 -0.672414 -0.437433
N -0.610604 0.225233 0.194008
N -1.861272 0.394696 -0.377708
C -0.067955 -1.072428 0.644758
C 1.225345 -1.400775 -0.139883
C 0.241547 1.422835 0.257696
C 2.132315 -0.185755 -0.239692
C 1.688473 1.083488 -0.048940
H -0.860153 -1.823858 0.485690
H 0.152784 -1.008405 1.727606
H 0.966412 -1.762749 -1.155056
H 1.753840 -2.233027 0.363627
H 0.169229 1.893058 1.262675
H -0.165886 2.151986 -0.466700
H 3.189327 -0.359361 -0.478795
H 2.378869 1.933876 -0.109352


