%chk=000051176.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051176

0 1
 O  -0.7097000       1.297600       2.361400    
 O    3.669900       2.020700     -0.8004000    
 O    2.402200      -2.520300      3.9700001E-02
 O    4.257200     -0.6846000     -0.8856000    
 N   -3.086200      -1.353800      0.1198000    
 N   -1.742100       1.202000      0.2616000    
 C   -4.226900      0.8824000      0.1669000    
 C   -2.853500      0.2637000      -1.785200    
 C   -4.145900      0.9588000      -1.357700    
 C   -4.252900     -0.5999000      0.6012000    
 C   -2.896300      -1.212300      -1.331100    
 C   -3.040800       1.652100      0.7757000    
 C   -1.646000       1.019500      -1.197900    
 C   -3.170400      -2.759500      0.5056000    
 C  -0.6725000       1.069100       1.153600    
 C   0.6151000      0.6110000      0.6203000    
 C   0.9036000     -0.7507000      0.5809000    
 C    1.542900       1.540100      0.1563000    
 C    2.767400       1.104700     -0.3504000    
 C    2.128000      -1.186200      7.4400000E-02
 C    3.059900     -0.2587000     -0.3914000    
 C    4.604600       2.529800      0.1488000    
 C    1.396200      -3.401700      0.5348000    
 C    5.096000      -1.424100     -1.3000000E-03
 H   -5.156900       1.356900      0.5029000    
 H   -2.777100      0.2861000      -2.879200    
 H   -5.014300      0.4674000      -1.812900    
 H   -4.154000       2.002500      -1.694500    
 H   -4.287700     -0.6426000       1.697000    
 H   -5.179700      -1.059500      0.2318000    
 H   -3.703900      -1.724800      -1.871000    
 H   -1.956100      -1.696000      -1.624400    
 H   -3.121700       2.717300      0.5263000    
 H   -3.065700       1.576400       1.868200    
 H  -0.7233000      0.5066000      -1.479400    
 H   -1.595200       2.026600      -1.629800    
 H   -3.241600      -2.856100       1.594600    
 H   -2.265200      -3.296800      0.2018000    
 H   -4.035800      -3.260200      5.7100002E-02
 H   0.1389000      -1.422200      0.9572000    
 H    1.317000       2.603400      0.1865000    
 H    5.258900       3.241200     -0.3625000    
 H    5.219000       1.722000      0.5585000    
 H    4.083600       3.052300      0.9573000    
 H   0.4810000      -3.346700     -6.4599998E-02
 H    1.207100      -3.240400       1.601600    
 H    1.782300      -4.421200      0.4316000    
 H    4.952400      -2.496900     -0.1578000    
 H    4.921400      -1.164800       1.048800    
 H    6.135400      -1.183200     -0.2432000    


%chk=000051176-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051176

0 1
O -1.311785 0.125731 2.401748
O 3.181854 1.954164 -0.981318
O 2.896345 -2.579609 0.879442
O 4.368154 -0.685622 -0.534704
N -3.250243 -1.227373 -0.344892
N -1.863780 1.235861 0.424429
C -4.366472 0.956872 0.218356
C -2.954280 0.776268 -1.816032
C -4.272867 1.370753 -1.269372
C -4.409780 -0.588268 0.317590
C -3.030686 -0.767004 -1.731893
C -3.184046 1.593193 0.993453
C -1.743333 1.378210 -1.045203
C -3.266835 -2.692446 -0.222860
C -0.983137 0.519710 1.232101
C 0.407583 0.233327 0.720349
C 0.965447 -1.028328 1.042573
C 1.193762 1.196236 0.057851
C 2.533997 0.911086 -0.304705
C 2.285209 -1.331680 0.658351
C 3.094170 -0.367900 -0.025707
C 4.645083 2.105538 -0.898346
C 2.083997 -3.618822 1.519524
C 5.395754 -1.115582 0.439074
H -5.301485 1.349402 0.665589
H -2.824089 1.052738 -2.881589
H -5.137760 0.981431 -1.841451
H -4.277800 2.474268 -1.367711
H -4.407028 -0.897362 1.380131
H -5.380874 -0.936861 -0.131484
H -3.850407 -1.111425 -2.422124
H -2.087854 -1.218017 -2.099302
H -3.296487 2.697914 0.962453
H -3.177379 1.267424 2.046434
H -0.814130 0.891809 -1.377347
H -1.672291 2.456519 -1.305006
H -3.322894 -2.975687 0.843596
H -2.334384 -3.113489 -0.641589
H -4.130009 -3.172676 -0.754351
H 0.347380 -1.735050 1.601254
H 0.815121 2.199638 -0.156439
H 4.838136 3.119235 -1.283925
H 5.158170 1.347888 -1.510423
H 4.992742 2.033350 0.150493
H 1.182300 -3.844536 0.918704
H 1.782092 -3.321643 2.541904
H 2.735301 -4.504298 1.563845
H 5.076144 -2.032257 0.959745
H 5.594174 -0.309193 1.173223
H 6.297799 -1.306435 -0.162538


