%chk=000115907.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115907

1 1
 O    1.256300     -0.4708000      8.4799998E-02
 O   8.3300002E-02  -1.421400      -1.630700    
 N    4.756800      -1.751900      0.2628000    
 N  -0.9422000      0.1611000     -0.2697000    
 C    3.535500     -0.9415000      0.6726000    
 C    4.437200      -3.236600      0.3615000    
 C    5.919000      -1.420600       1.187900    
 C    5.135700      -1.408800      -1.170700    
 C    2.389800      -1.251600     -0.2705000    
 C  -0.8330000       1.072800      0.8649000    
 C   -2.231000      0.1347000     -0.9464000    
 C   0.1280000     -0.6397000     -0.6823000    
 C  -0.3629000       2.436100      0.4470000    
 C   -3.156300     -0.8879000     -0.3530000    
 C   0.9983000       2.716000      0.4215000    
 C   -3.157900      -2.185400     -0.8518000    
 C   -1.293600       3.404700      8.9299999E-02
 C   -4.001900     -0.5274000      0.6896000    
 C    1.435200       3.982500      3.3000000E-02
 C   -4.017300      -3.135600     -0.3004000    
 C  -0.8566000       4.671000     -0.2992000    
 C   -4.861300      -1.477700       1.241000    
 C   0.5078000       4.959900     -0.3273000    
 C   -4.869000      -2.781800      0.7460000    
 H    3.281600      -1.193900       1.709100    
 H    3.800200      0.1223000      0.6405000    
 H    4.004100      -3.438500       1.345600    
 H    3.757600      -3.532200     -0.4412000    
 H    5.374100      -3.791400      0.2463000    
 H    5.626000      -1.669500       2.212200    
 H    6.788000      -2.012600      0.8857000    
 H    6.136400     -0.3520000       1.099600    
 H    5.168900     -0.3204000      -1.276200    
 H    6.127000      -1.830700      -1.366800    
 H    4.426500      -1.859200      -1.869500    
 H    2.632500      -1.000600      -1.306200    
 H    2.089700      -2.301500     -0.2102000    
 H   -1.794700       1.144000       1.383700    
 H  -0.1412000      0.6584000       1.608400    
 H   -2.690500       1.128100     -0.9376000    
 H   -2.063700     -0.1037000      -2.004600    
 H    1.735300       1.974800      0.7129000    
 H   -2.503000      -2.474400      -1.668700    
 H   -2.359600       3.198500      0.1167000    
 H   -4.016000      0.4867000       1.078100    
 H    2.497400       4.208600      1.4600000E-02
 H   -4.024200      -4.150700     -0.6864000    
 H   -1.578700       5.433200     -0.5773000    
 H   -5.526500      -1.201700       2.054000    
 H   0.8479000       5.946500     -0.6284000    
 H   -5.538700      -3.521400       1.174700    


%chk=000115907-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115907

1 1
O 1.596285 -0.697935 -0.048089
O 0.446717 -1.557791 -1.908586
N 5.095087 -2.073244 0.314450
N -0.570935 0.039252 -0.502750
C 3.783525 -1.278599 0.523588
C 4.845350 -3.577933 0.428457
C 6.075550 -1.648684 1.410760
C 5.711390 -1.758792 -1.049815
C 2.672078 -1.594684 -0.487485
C -0.534113 0.849773 0.739863
C -1.838821 0.066211 -1.299484
C 0.430685 -0.785891 -0.913338
C -0.630396 2.352518 0.481523
C -2.995492 -0.613286 -0.576408
C 0.154652 2.973844 -0.522430
C -3.049457 -2.028426 -0.485093
C -1.489022 3.150693 1.275736
C -4.030226 0.156268 0.010845
C 0.084851 4.369697 -0.724725
C -4.117715 -2.660833 0.187167
C -1.554452 4.549596 1.080937
C -5.102651 -0.475580 0.682029
C -0.768014 5.162578 0.079467
C -5.146758 -1.885272 0.773500
H 3.434095 -1.502856 1.545782
H 4.045112 -0.208286 0.467234
H 4.340684 -3.785970 1.384115
H 4.216148 -3.912519 -0.408111
H 5.813391 -4.100853 0.393851
H 5.640384 -1.885463 2.393504
H 7.022350 -2.194267 1.279136
H 6.253843 -0.565419 1.333367
H 5.838343 -0.669476 -1.142857
H 6.689816 -2.258070 -1.120221
H 5.051103 -2.127755 -1.846898
H 2.948913 -1.363948 -1.532143
H 2.326845 -2.643739 -0.443848
H -1.375939 0.528987 1.382205
H 0.400180 0.609878 1.271368
H -2.074533 1.126139 -1.501628
H -1.621032 -0.433217 -2.257597
H 0.810061 2.361376 -1.154061
H -2.261723 -2.629721 -0.955876
H -2.109015 2.678800 2.048474
H -4.004285 1.250601 -0.069336
H 0.689535 4.840573 -1.507759
H -4.158517 -3.754183 0.243877
H -2.222025 5.156670 1.701833
H -5.902649 0.127717 1.124593
H -0.823054 6.245038 -0.077874
H -5.979848 -2.376718 1.287650


