%chk=000082414.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082414

0 1
 O    6.060700       1.782300     -0.6219000    
 O  -0.5015000      -3.119200      0.3768000    
 O   -3.014200      -3.098500     -0.4674000    
 N    3.784100      0.3216000      0.2642000    
 N   0.7106000      -1.297400     -0.3902000    
 C    2.992700     -0.3431000       1.297500    
 C    5.099900     -0.3175000      0.1228000    
 C    3.948200       1.749500      0.5704000    
 C    2.742900      -1.802700      0.9138000    
 C    5.912000      0.4007000     -0.9512000    
 C    4.786700       2.418400     -0.5150000    
 C    1.998900      -1.951800     -0.4152000    
 C  -0.4699000      -1.932500      9.3000000E-03
 C   -1.693500      -1.144400     -4.4500001E-02
 C   -2.779700       1.027600      0.1009000    
 C   -1.620500      0.2359000      0.1455000    
 C   -4.030400      0.4104000     -0.1397000    
 C   -2.923400      -1.751200     -0.2810000    
 C   -4.085200     -0.9801000     -0.3286000    
 C   -2.725100       2.418100      0.2899000    
 C   -5.189600       1.202200     -0.1842000    
 C   -3.886800       3.189200      0.2422000    
 C   -5.116700       2.582400      5.5999998E-03
 H    3.498700     -0.3071000       2.271100    
 H    2.031000      0.1692000       1.423300    
 H    5.025600      -1.359500     -0.1989000    
 H    5.645200     -0.2874000       1.075100    
 H    4.441900       1.875700       1.542800    
 H    2.970800       2.243000      0.6185000    
 H    3.660100      -2.399400      0.9053000    
 H    2.125100      -2.246100       1.706700    
 H    6.914400     -3.4800000E-02  -1.015000    
 H    5.446900      0.3081000      -1.940300    
 H    4.282200       2.394100      -1.488700    
 H    4.959700       3.468400     -0.2581000    
 H    1.848400      -3.016300     -0.6263000    
 H    2.568700      -1.530900      -1.249500    
 H   0.6835000     -0.3458000     -0.7409000    
 H  -0.6736000      0.7247000      0.3651000    
 H   -5.043600      -1.462100     -0.5138000    
 H   -1.774900       2.914400      0.4761000    
 H   -6.161900      0.7494000     -0.3677000    
 H   -3.830700       4.263800      0.3899000    
 H   -6.020700       3.183300     -3.1300001E-02
 H   -3.944900      -3.337600     -0.6174000    


%chk=000082414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082414

0 1
O 5.134313 1.852419 -1.481784
O -0.565129 -3.263993 0.760930
O -2.363153 -2.671642 -1.624850
N 3.505291 0.225831 0.303142
N 0.947062 -1.633852 0.051508
C 3.084197 -0.349313 1.608798
C 4.876143 -0.194305 -0.096970
C 3.415878 1.712751 0.302489
C 2.927424 -1.886941 1.586137
C 5.222509 0.383267 -1.478985
C 3.777990 2.264481 -1.085918
C 2.156550 -2.411436 0.347069
C -0.332184 -2.112731 0.282920
C -1.431398 -1.120489 -0.034940
C -2.559464 1.033942 0.443191
C -1.479365 0.109947 0.626940
C -3.629628 0.676506 -0.465182
C -2.495930 -1.455989 -0.944387
C -3.564489 -0.578056 -1.151489
C -2.614548 2.289707 1.130726
C -4.713912 1.596852 -0.651577
C -3.682944 3.167730 0.930171
C -4.739688 2.816062 0.030750
H 3.788366 -0.063559 2.430861
H 2.104322 0.102065 1.857517
H 4.926220 -1.297310 -0.143016
H 5.635607 0.152330 0.648148
H 4.102445 2.161959 1.063166
H 2.380888 2.010094 0.560830
H 3.914869 -2.387687 1.619025
H 2.392368 -2.184452 2.507741
H 6.263182 0.150313 -1.758380
H 4.528850 -0.035055 -2.240600
H 3.041609 1.901443 -1.835723
H 3.791961 3.366833 -1.085121
H 1.841067 -3.456144 0.512203
H 2.811254 -2.379729 -0.542836
H 1.084598 -0.715453 -0.377554
H -0.683260 0.365277 1.337567
H -4.366136 -0.841227 -1.854822
H -1.804910 2.551955 1.822639
H -5.526539 1.330611 -1.338094
H -3.719107 4.125493 1.460167
H -5.573778 3.510485 -0.119214
H -3.157302 -2.851992 -2.187190


