%chk=000054982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054982

0 1
 O  -0.3355000       2.265700      0.1863000    
 N   -1.066700      6.6399999E-02  0.2563000    
 N    1.473000     -0.7493000      4.4500001E-02
 N   -3.101700      0.4143000     -0.9582000    
 N   -3.198100     -0.6899000       1.045300    
 N   -3.987800     -0.4675000     -0.9836000    
 N   -4.047400      -1.146800      0.2491000    
 C   -2.478300      0.3619000      0.3511000    
 C    1.301700      0.5916000      6.3100003E-02
 C  -7.2099999E-02   1.049200      0.1789000    
 C    2.746600      -1.190400     -6.0899999E-02
 C    2.338400       1.507300     -1.8100001E-02
 C    3.851100     -0.3581000     -0.1479000    
 C    3.634400       1.015200     -0.1254000    
 C    2.942300      -2.669900     -8.0600001E-02
 H   -2.616100       1.317500      0.8682000    
 H  -0.7951000     -0.9114000      0.2151000    
 H    2.171300       2.579000     -9.9999997E-05
 H    4.857600     -0.7538000     -0.2310000    
 H    4.474100       1.700500     -0.1911000    
 H    3.564800      -2.982900      0.7637000    
 H    1.983800      -3.194100     -6.0000001E-03
 H    3.423600      -2.977900      -1.014200    


%chk=000054982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054982

0 1
O -0.401793 2.380915 0.243862
N -1.035437 0.127361 0.094602
N 1.480153 -0.699203 -0.027097
N -3.201367 -0.122787 -1.141470
N -3.159390 -0.332253 1.309361
N -4.139968 -0.891734 -0.999911
N -4.105450 -1.071106 1.076445
C -2.421019 0.377278 0.137741
C 1.324598 0.659056 0.076659
C -0.093824 1.159691 0.147614
C 2.741635 -1.213964 -0.095550
C 2.401492 1.566699 0.117148
C 3.880960 -0.359318 -0.061063
C 3.710085 1.036488 0.045854
C 2.882826 -2.715854 -0.207936
H -2.589927 1.468239 0.228378
H -0.636024 -0.819476 0.014841
H 2.196853 2.637403 0.200748
H 4.882761 -0.797288 -0.118117
H 4.579789 1.700658 0.073037
H 3.454084 -3.127498 0.644525
H 1.889051 -3.188622 -0.225273
H 3.423813 -2.998084 -1.129897


