%chk=000149586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149586

0 1
 O    3.005100      -2.348700      0.3384000    
 O    4.401200       2.491100      0.3773000    
 N  -0.3552000     -0.3082000     -0.6275000    
 N   -4.407600       2.276500      0.5185000    
 C   -1.513500      0.3884000      -1.194400    
 C   -2.380600      0.9855000     -8.6599998E-02
 C   0.8227000      0.4307000     -0.3733000    
 C  -0.4768000      -1.681100     -0.3137000    
 C    2.001400     -0.2475000     -6.3999998E-03
 C   -3.649300       1.688800     -0.5790000    
 C   0.6692000      -2.412600      5.4600000E-02
 C    1.974000      -1.719900      0.1376000    
 C   0.8952000       1.833800     -0.4486000    
 C   -1.697700      -2.380000     -0.3296000    
 C    3.201400      0.4354000      0.2382000    
 C   0.6074000      -3.780400      0.3569000    
 C    3.242000       1.821500      0.1362000    
 C    2.089200       2.520100     -0.2010000    
 C   -1.765200      -3.744000     -2.4300000E-02
 C  -0.6133000      -4.444300      0.3125000    
 C   -4.870300       1.237400       1.440300    
 C   -5.544700       3.044000      7.1999999E-03
 C    4.365400       3.913500      0.2668000    
 H   -1.202500       1.172700      -1.896300    
 H   -2.110800     -0.2767000      -1.830400    
 H   -1.793600       1.693500      0.5110000    
 H   -2.646000      0.1730000      0.5974000    
 H   -4.262500      0.9820000      -1.153600    
 H   -3.341700       2.481100      -1.273600    
 H   3.2099999E-02   2.440900     -0.7053000    
 H   -2.636600      -1.892800     -0.5757000    
 H    4.104900     -0.1012000      0.5165000    
 H    1.496800      -4.338800      0.6358000    
 H    2.043600       3.600500     -0.2907000    
 H   -2.723100      -4.256100     -5.0000001E-02
 H  -0.6678000      -5.502700      0.5487000    
 H   -5.409000      0.4323000      0.9273000    
 H   -5.547300       1.666500       2.189000    
 H   -4.046200      0.8077000       2.017400    
 H   -6.251600       2.415700     -0.5469000    
 H   -5.201600       3.845800     -0.6561000    
 H   -6.083600       3.528800      0.8289000    
 H    3.690200       4.357400       1.006300    
 H    4.129400       4.231800     -0.7543000    
 H    5.372100       4.280600      0.4918000    


%chk=000149586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149586

0 1
O 3.159137 -2.371212 0.484075
O 4.468313 2.491749 0.356318
N -0.368455 -0.343903 -0.549046
N -4.527707 2.333175 0.473968
C -1.576069 0.356064 -1.048037
C -2.489792 0.900849 0.074681
C 0.815630 0.395296 -0.312107
C -0.410816 -1.733645 -0.315952
C 2.033718 -0.276685 0.042016
C -3.767015 1.535313 -0.514329
C 0.783401 -2.445973 0.040013
C 2.077468 -1.749547 0.203945
C 0.843558 1.815568 -0.415369
C -1.631507 -2.470639 -0.426296
C 3.220280 0.462166 0.252626
C 0.733517 -3.851148 0.245390
C 3.234644 1.861349 0.128349
C 2.029445 2.539822 -0.202586
C -1.651003 -3.858611 -0.216551
C -0.464686 -4.565733 0.116418
C -5.060054 1.527576 1.592653
C -5.586451 3.137839 -0.171499
C 4.515818 3.949972 0.239616
H -1.252713 1.179383 -1.708430
H -2.138658 -0.339288 -1.695024
H -1.954171 1.666347 0.665893
H -2.741910 0.075060 0.765204
H -4.401033 0.728662 -0.975864
H -3.479644 2.221420 -1.336882
H -0.063954 2.380794 -0.639875
H -2.573175 -1.966533 -0.655762
H 4.129187 -0.086790 0.516418
H 1.676947 -4.341464 0.508106
H 2.000964 3.630379 -0.286779
H -2.601832 -4.396518 -0.305183
H -0.491340 -5.648080 0.276582
H -5.769768 0.726941 1.258740
H -5.598221 2.188967 2.294417
H -4.237768 1.048616 2.150028
H -6.384559 2.518475 -0.655696
H -5.141155 3.787837 -0.946005
H -6.069822 3.785760 0.581198
H 3.851061 4.438310 0.979396
H 4.244305 4.284399 -0.781242
H 5.561084 4.219684 0.449761


