%chk=000072064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072064

0 1
 O    1.037500      0.2472000      0.2057000    
 O  -9.2399999E-02  0.3097000      -1.801500    
 N   -1.913600      -1.270900     -3.9000001E-02
 N    4.688400      0.6399000     -0.1366000    
 C  -0.9125000      -2.344200      3.7099998E-02
 C   -3.056300      -1.546700      0.8431000    
 C   -1.517700      -3.692100     -0.3577000    
 C   -3.731700      -2.868600      0.4745000    
 C   -2.737200      -4.023700      0.4949000    
 C   -1.308200      1.7899999E-02  0.2957000    
 C   -2.300100       1.151100      0.1425000    
 C  -8.0600001E-02  0.2016000     -0.5818000    
 C   -2.208200       2.274100      0.9649000    
 C   -3.305600       1.072700     -0.8211000    
 C    2.274500      0.4381000     -0.4883000    
 C    3.405400      0.4646000      0.5275000    
 C   -3.121900       3.318600      0.8238000    
 C   -4.219200       2.117300     -0.9621000    
 C    5.142900     -0.6214000     -0.7271000    
 C    5.692200       1.149400      0.8010000    
 C   -4.127300       3.240200     -0.1397000    
 C    6.447900     -0.4353000      -1.482400    
 C    5.943700      0.1606000       1.926800    
 H  -0.4897000      -2.415000       1.048300    
 H  -7.9000004E-02  -2.183600     -0.6549000    
 H   -3.838900     -0.7845000      0.8043000    
 H   -2.726000      -1.596100       1.890100    
 H   -1.807100      -3.669700      -1.416200    
 H  -0.7662000      -4.482400     -0.2484000    
 H   -4.548600      -3.075600       1.175200    
 H   -4.179100      -2.787000     -0.5243000    
 H   -3.215400      -4.938600      0.1283000    
 H   -2.420700      -4.216300       1.527400    
 H  -0.9818000     -5.4000001E-03   1.346300    
 H   -1.428000       2.348200       1.717800    
 H   -3.390800      0.2280000      -1.499300    
 H    2.235400       1.386900      -1.037500    
 H    2.389800     -0.3834000      -1.202400    
 H    3.198400       1.298600       1.212300    
 H    3.358900     -0.4436000       1.142600    
 H    4.413700     -0.9538000      -1.474600    
 H    5.224800      -1.446900     -1.1200000E-02
 H    5.339000       2.097100       1.228300    
 H    6.629300       1.412100      0.2990000    
 H   -3.049800       4.193300       1.463400    
 H   -4.998100       2.059800      -1.716800    
 H   -4.837600       4.054200     -0.2508000    
 H    6.408600      0.4307000      -2.152300    
 H    7.308800     -0.3286000     -0.8158000    
 H    6.640400      -1.317300      -2.103800    
 H    6.633100      0.6209000       2.645100    
 H    6.431200     -0.7602000       1.595000    
 H    5.045400     -9.5500000E-02   2.495100    


%chk=000072064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072064

0 1
O 1.071814 0.019276 0.267974
O 0.008758 -0.500873 -1.740379
N -2.126963 -1.602715 0.011731
N 4.742410 0.685594 -0.107992
C -1.373247 -2.886930 0.005098
C -3.340261 -1.705048 0.868642
C -2.250849 -4.037418 -0.526280
C -4.278844 -2.818852 0.363857
C -3.545039 -4.177507 0.306391
C -1.279048 -0.448533 0.405219
C -2.023973 0.888172 0.277896
C -0.035536 -0.345154 -0.501823
C -1.979649 1.840303 1.323043
C -2.730255 1.190171 -0.913781
C 2.332054 0.312305 -0.482102
C 3.446630 0.434960 0.566026
C -2.642686 3.081877 1.186616
C -3.394636 2.428036 -1.048491
C 5.420405 -0.559588 -0.550602
C 5.606977 1.678795 0.575568
C -3.352954 3.378078 0.000636
C 6.530435 -0.312495 -1.589103
C 6.216392 1.239086 1.935602
H -1.013701 -3.142958 1.037669
H -0.486810 -2.773604 -0.642626
H -3.864908 -0.734598 0.854845
H -3.056719 -1.916356 1.934869
H -2.508608 -3.824275 -1.581315
H -1.667999 -4.978540 -0.506595
H -5.162790 -2.877642 1.027845
H -4.636530 -2.547720 -0.648254
H -4.201815 -4.957533 -0.123054
H -3.287693 -4.501116 1.336600
H -0.898561 -0.542663 1.452539
H -1.427334 1.610128 2.242278
H -2.749757 0.444172 -1.715434
H 2.202731 1.254760 -1.041444
H 2.515634 -0.501686 -1.205469
H 3.211203 1.283970 1.233159
H 3.454340 -0.481195 1.201652
H 4.650046 -1.207664 -1.009682
H 5.838985 -1.138211 0.311563
H 5.002078 2.593348 0.726027
H 6.422355 1.961999 -0.115312
H -2.607212 3.812791 2.002407
H -3.940286 2.655962 -1.971242
H -3.867954 4.339621 -0.106389
H 6.132625 0.264925 -2.442091
H 7.383917 0.244287 -1.162218
H 6.918855 -1.276341 -1.966266
H 6.816264 2.061455 2.368162
H 6.880619 0.363292 1.820313
H 5.427090 0.976249 2.664116


