%chk=000150366.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150366

0 1
 O    5.133500       1.247500      0.6390000    
 O   -6.302400      0.4218000     -0.1518000    
 O    4.331100      -1.932400     -0.6947000    
 N    4.244700      0.2469000      0.1580000    
 C  -0.4557000      -1.497000      0.2828000    
 C   0.6538000     -0.4731000      0.1648000    
 C   -1.690100     -0.6341000      0.1246000    
 C   0.1162000      0.8180000     -3.6300000E-02
 C   -1.327300      0.7189000     -6.1000001E-02
 C    2.019700     -0.6851000      0.2326000    
 C   -3.015700      -1.030800      0.1463000    
 C   0.9511000       1.914500     -0.1720000    
 C   -2.299200       1.691300     -0.2276000    
 C    2.861100      0.4203000      9.5600002E-02
 C   -3.995100     -5.0299998E-02 -2.1700000E-02
 C    2.332300       1.707100     -0.1046000    
 C   -3.640600       1.297200     -0.2066000    
 C   -5.400400     -0.4266000     -5.4000001E-03
 C    4.889400     -0.9304000     -0.2475000    
 C   -5.803300      -1.883400      0.1940000    
 C    6.396600     -0.9402000     -0.1085000    
 H  -0.4398000      -1.974000       1.267000    
 H  -0.3913000      -2.232800     -0.5240000    
 H    2.371400      -1.687100      0.4454000    
 H   -3.246300      -2.079800      0.2916000    
 H   0.5578000       2.913400     -0.3281000    
 H   -2.040700       2.735200     -0.3713000    
 H    2.992100       2.564900     -0.2154000    
 H   -4.402700       2.062000     -0.3375000    
 H   -5.457700      -2.241700       1.167100    
 H   -5.409100      -2.499600     -0.6181000    
 H   -6.895300      -1.958300      0.1751000    
 H    5.052900       1.097800       1.596800    
 H    6.835300     -0.1410000     -0.7122000    
 H    6.677700     -0.8164000      0.9410000    
 H    6.791700      -1.897100     -0.4623000    


%chk=000150366-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150366

0 1
O 5.103248 1.368402 0.229912
O -6.418563 0.567368 -0.075476
O 4.535865 -2.149060 -0.249563
N 4.331114 0.137003 0.151450
C -0.495024 -1.574258 0.194172
C 0.645169 -0.564861 0.123939
C -1.735606 -0.692582 0.100300
C 0.117818 0.756416 -0.004164
C -1.350345 0.680419 -0.017132
C 2.024802 -0.806015 0.168933
C -3.089394 -1.054500 0.114562
C 0.999414 1.854918 -0.099192
C -2.335235 1.692336 -0.120406
C 2.907755 0.311194 0.077528
C -4.087308 -0.041518 0.010620
C 2.390028 1.631718 -0.061183
C -3.692624 1.323802 -0.105889
C -5.554472 -0.356339 0.019386
C 5.096413 -1.030726 -0.062039
C -5.997469 -1.812589 0.144493
C 6.605405 -0.848527 -0.036043
H -0.470757 -2.160322 1.133585
H -0.442658 -2.306719 -0.634944
H 2.431883 -1.814410 0.249757
H -3.377991 -2.107490 0.204466
H 0.620414 2.876337 -0.212778
H -2.050620 2.746408 -0.210876
H 3.083640 2.468469 -0.169277
H -4.487064 2.073585 -0.183627
H -5.633099 -2.259677 1.088412
H -5.599803 -2.423586 -0.687290
H -7.097032 -1.853862 0.127973
H 5.068051 1.639235 1.191625
H 6.934377 -0.123468 -0.799309
H 6.954141 -0.470562 0.941676
H 7.061228 -1.830941 -0.228500


