%chk=000046247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046247

0 1
 O    2.789400       2.046800      0.6358000    
 N    4.195700     -0.4460000      0.3016000    
 C    4.679500      -1.699000      0.8981000    
 C    4.638900     -0.3160000      -1.093600    
 C    6.206700      -1.772700      0.8638000    
 C    6.164900     -0.3443000      -1.192900    
 C    6.738600      -1.604300     -0.5550000    
 C    2.737400     -0.3698000      0.3845000    
 C    2.210100      0.9836000     -0.1326000    
 C   0.7242000       1.078600     -5.1300000E-02
 C   -3.541600       1.351500      0.1822000    
 C   -4.207000     -1.1100000E-02 -2.3000000E-02
 C   -2.039700       1.255800      0.1001000    
 C   8.1200004E-02  0.9185000       1.176100    
 C  -2.2700001E-02   1.327900      -1.202600    
 C   -5.728600      9.0599999E-02  9.7999997E-02
 C   -1.308800       1.007500       1.252200    
 C   -1.412700       1.417000      -1.126500    
 C   -6.397200      -1.264200     -0.1402000    
 C   -7.919500      -1.156200     -5.2400000E-02
 C   -8.588900      -2.494300     -0.3223000    
 H    4.257800      -2.568500      0.3766000    
 H    4.360400      -1.761100       1.945600    
 H    4.348300      0.6417000      -1.532000    
 H    4.211800      -1.111400      -1.718400    
 H    6.626800     -0.9889000       1.506900    
 H    6.540300      -2.733500       1.271800    
 H    6.469500     -0.2925000      -2.244500    
 H    6.583000      0.5400000     -0.6948000    
 H    7.832900      -1.555800     -0.5436000    
 H    6.460200      -2.478400      -1.156400    
 H    2.460400     -0.4848000       1.439800    
 H    2.264300      -1.193100     -0.1678000    
 H    2.490300       1.155400      -1.174800    
 H   -3.906400       2.066200     -0.5669000    
 H   -3.828800       1.768900       1.156000    
 H   -3.941800     -0.4086000      -1.010900    
 H   -3.829400     -0.7279000      0.7173000    
 H   -6.105500      0.8184000     -0.6310000    
 H   -5.995300      0.4628000       1.094600    
 H   0.6430000      0.7375000       2.088300    
 H   0.4611000       1.454500      -2.167400    
 H   -6.113800      -1.643700      -1.129600    
 H   -6.035700      -1.988800      0.5994000    
 H   -1.800300      0.8825000       2.212800    
 H   -1.986000       1.609400      -2.029000    
 H    3.755500       1.953900      0.5767000    
 H   -8.210600     -0.8009000      0.9429000    
 H   -8.283700     -0.4207000     -0.7791000    
 H   -9.676700      -2.394700     -0.2531000    
 H   -8.344500      -2.860400      -1.324500    
 H   -8.269600      -3.246500      0.4060000    


%chk=000046247-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046247

0 1
O 2.891003 1.476215 1.081634
N 4.108044 -0.593245 -0.081950
C 4.441181 -1.965735 0.390055
C 5.032806 -0.135568 -1.157482
C 5.889066 -2.029998 0.916682
C 6.497775 -0.154622 -0.677047
C 6.889742 -1.559205 -0.163833
C 2.674370 -0.413943 -0.433648
C 2.273120 1.078590 -0.179722
C 0.761786 1.240815 -0.122978
C -3.614396 1.494085 0.011758
C -4.257217 0.078837 0.019811
C -2.094266 1.443005 -0.035670
C 0.082865 1.299995 1.117255
C 0.004209 1.300075 -1.319017
C -5.801052 0.115165 0.062091
C -1.324904 1.400975 1.155953
C -1.403791 1.395622 -1.274393
C -6.440000 -1.291784 0.069292
C -7.985399 -1.263292 0.107664
C -8.614059 -2.673387 0.115264
H 4.318039 -2.710197 -0.436624
H 3.728272 -2.236554 1.190191
H 4.743731 0.888962 -1.453746
H 4.927622 -0.787533 -2.061279
H 5.974037 -1.379933 1.809338
H 6.115962 -3.065390 1.235235
H 7.158652 0.157590 -1.508132
H 6.616668 0.585359 0.138122
H 7.919368 -1.550371 0.240245
H 6.881169 -2.276435 -1.010899
H 2.073572 -1.047385 0.243951
H 2.440471 -0.709263 -1.481613
H 2.671822 1.707215 -1.008521
H -4.005148 2.053652 -0.861446
H -3.948938 2.039222 0.916628
H -3.921890 -0.474749 -0.880782
H -3.872882 -0.487060 0.892587
H -6.179431 0.686076 -0.812108
H -6.131504 0.673461 0.963370
H 0.679755 1.293043 2.034341
H 0.516461 1.285619 -2.290278
H -6.107193 -1.850665 -0.830499
H -6.063397 -1.861627 0.944507
H -1.837043 1.458333 2.125226
H -1.975170 1.445601 -2.210161
H 3.700090 0.869017 1.130818
H -8.316643 -0.704092 1.006675
H -8.360521 -0.693948 -0.767431
H -9.718363 -2.625730 0.142983
H -8.322699 -3.241957 -0.788215
H -8.278355 -3.251963 0.996698


