%chk=000018160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018160

0 1
 O   -6.141800     -0.2191000      0.1926000    
 N    5.485600      6.9200002E-02 -0.1488000    
 N  -6.6200003E-02  3.5000001E-03  0.5724000    
 N  -0.6404000     -0.1497000     -0.5312000    
 C    4.086900      5.2900001E-02  3.2699998E-02
 C    3.361700       1.243100     -2.6300000E-02
 C    3.428700      -1.153600      0.2714000    
 C    1.320500      2.0600000E-02  0.3920000    
 C    1.978600       1.227000      0.1534000    
 C    2.045400      -1.169700      0.4510000    
 C    6.262300       1.229900      0.2382000    
 C    6.165900      -1.080100     -0.7119000    
 C   -2.033800     -0.1670000     -0.3494000    
 C   -4.792500     -0.2019000      1.4700000E-02
 C   -2.753000       1.022500     -0.4084000    
 C   -2.683500      -1.373900     -0.1097000    
 C   -4.135800       1.005000     -0.2258000    
 C   -4.066300      -1.391500      7.2800003E-02
 C   -6.822200       1.033000      0.1203000    
 H    3.841700       2.197800     -0.2221000    
 H    3.964200      -2.096500      0.3357000    
 H    1.421900       2.159200      0.1038000    
 H    1.541600      -2.114300      0.6398000    
 H    6.189700       2.016200     -0.5206000    
 H    7.322800      0.9772000      0.3492000    
 H    5.931800       1.630400       1.203300    
 H    7.155300     -0.8051000      -1.094200    
 H    5.609300      -1.502400      -1.556300    
 H    6.310500      -1.856100      4.7100000E-02
 H   -2.248300       1.966600     -0.5958000    
 H   -2.125400      -2.305200     -6.3199997E-02
 H   -4.637900       1.964700     -0.2837000    
 H   -4.572200      -2.334800      0.2598000    
 H   -6.498600       1.713200      0.9154000    
 H   -7.886100      0.8327000      0.2845000    
 H   -6.731500       1.483500     -0.8739000    


%chk=000018160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018160

0 1
O -6.371497 -0.245428 0.024541
N 5.654172 0.053010 -0.088933
N -0.010958 0.499714 -0.000208
N -0.728214 -0.603734 -0.047930
C 4.261419 0.137573 -0.068074
C 3.594434 1.405117 0.001651
C 3.446419 -1.046497 -0.116695
C 1.393883 0.299820 -0.025848
C 2.194331 1.474081 0.022149
C 2.050739 -0.965386 -0.095953
C 6.466490 1.276591 -0.045676
C 6.316465 -1.256764 -0.165729
C -2.139591 -0.393236 -0.022417
C -4.969574 -0.219538 0.013522
C -2.782389 0.874663 0.048744
C -2.939768 -1.569987 -0.074559
C -4.185805 0.965911 0.066856
C -4.340261 -1.489229 -0.056969
C -7.076487 1.036987 0.094008
H 4.171464 2.332875 0.039313
H 3.916865 -2.032411 -0.172375
H 1.683140 2.441523 0.075515
H 1.434115 -1.869026 -0.133708
H 6.259859 1.937091 -0.911927
H 7.534376 1.009276 -0.069621
H 6.281233 1.858459 0.879622
H 7.408428 -1.114839 -0.166866
H 6.042732 -1.803010 -1.090886
H 6.057567 -1.898867 0.699927
H -2.157826 1.772548 0.088672
H -2.430825 -2.537894 -0.129121
H -4.660918 1.950379 0.122247
H -4.967569 -2.384594 -0.096874
H -6.829578 1.582524 1.025430
H -8.145157 0.776946 0.088988
H -6.842812 1.672655 -0.782014


