%chk=000111974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111974

0 1
 O    2.855000      -3.363200      0.1374000    
 N    2.084100      0.1718000     -0.4431000    
 N    1.498000       2.151900      0.5276000    
 C  -2.0400001E-02  0.2835000      0.9201000    
 C    1.206300      0.8906000      0.3248000    
 C   -1.226800      0.4817000      8.1000002E-03
 C    3.232700      0.9880000     -0.7392000    
 C   -2.518500     -7.6700002E-02  0.6131000    
 C    2.761000       2.360000     -0.2406000    
 C    2.085600      -1.245200     -0.6941000    
 C   -3.702600      0.1108000     -0.3377000    
 C   -4.986600     -0.4730000      0.2515000    
 C    2.890900      -1.961800      0.3764000    
 C   -6.158700     -0.3184000     -0.7045000    
 H   0.1354000     -0.7785000       1.130300    
 H  -0.2066000      0.7711000       1.885000    
 H   -1.035000     -2.0999999E-03 -0.9580000    
 H   -1.356300       1.550800     -0.2037000    
 H    3.467800       1.006200      -1.807700    
 H    4.115800      0.6611000     -0.1809000    
 H   -2.725600      0.4263000       1.565300    
 H   -2.386900      -1.143400      0.8313000    
 H    3.516200       2.827800      0.3993000    
 H    2.558400       3.032700      -1.081200    
 H    2.523400      -1.448800      -1.679400    
 H    1.068700      -1.650100     -0.7484000    
 H   -3.844000       1.178700     -0.5442000    
 H   -3.484300     -0.3774000      -1.295400    
 H   -5.223500      2.8200001E-02   1.197300    
 H   -4.844400      -1.536800      0.4746000    
 H    2.477700      -1.779100       1.373500    
 H    3.938000      -1.643100      0.3849000    
 H   -7.066500     -0.7411000     -0.2627000    
 H   -5.966400     -0.8382000      -1.648400    
 H   -6.348000      0.7370000     -0.9254000    
 H    3.246600      -3.521000     -0.7387000    


%chk=000111974-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111974

0 1
O 2.562197 -3.475951 0.041789
N 2.067710 0.267390 -0.468870
N 1.726618 2.235590 0.698180
C 0.007894 0.465019 1.017612
C 1.292119 1.014245 0.444505
C -1.176224 0.520012 0.012775
C 3.286363 1.049771 -0.806874
C -2.486037 -0.028620 0.620127
C 2.966515 2.431852 -0.132820
C 1.970952 -1.170654 -0.716946
C -3.678658 0.019641 -0.361276
C -4.988233 -0.536130 0.244073
C 2.752827 -2.041871 0.303746
C -6.175717 -0.490656 -0.741605
H 0.146466 -0.578182 1.365117
H -0.236437 1.078136 1.901876
H -0.925467 -0.053786 -0.902600
H -1.318976 1.570935 -0.305596
H 3.417779 1.126165 -1.902782
H 4.197653 0.579685 -0.381870
H -2.737258 0.552039 1.532087
H -2.327402 -1.076396 0.952202
H 3.792684 2.788314 0.506841
H 2.767011 3.214745 -0.888709
H 2.345796 -1.382958 -1.739778
H 0.912067 -1.484371 -0.697546
H -3.843220 1.067035 -0.689803
H -3.426744 -0.556738 -1.276304
H -5.240907 0.041733 1.156533
H -4.820546 -1.581427 0.575389
H 2.353694 -1.888168 1.319778
H 3.830037 -1.772510 0.305778
H -7.098993 -0.890083 -0.282879
H -5.962406 -1.089100 -1.647540
H -6.381437 0.546745 -1.066733
H 2.988778 -3.711152 -0.820677


