%chk=000049069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049069

0 1
 O   0.7708000       1.110300      0.6172000    
 O    1.665200       1.811700      -1.374800    
 O    4.381900       1.388600      -1.304400    
 N   -2.577200      0.1967000      0.5569000    
 C   -3.083900      -1.197400      0.5523000    
 C   -3.833700      -1.509800     -0.7750000    
 C   -4.971100     -0.4996000     -0.9850000    
 C   -3.684300       1.158100      0.4042000    
 C   -4.468200      0.9346000     -0.8868000    
 C   -1.824200      0.5229000       1.771400    
 C   -1.979600      -2.238600      0.7974000    
 C   -2.914100      -1.555900      -2.003800    
 C   -1.225200       1.921500       1.663300    
 C  -0.2935000       2.039300      0.4648000    
 C    1.708100       1.087100     -0.3858000    
 C    2.748700      9.3599997E-02 -0.1168000    
 C    4.045300      0.2808000     -0.5853000    
 C    2.419000      -1.042900      0.6148000    
 C    5.022300     -0.6786000     -0.3191000    
 C    3.396100      -2.002200      0.8808000    
 C    4.697700      -1.820100      0.4138000    
 H   -3.809200      -1.309900       1.371700    
 H   -4.295600      -2.502300     -0.6833000    
 H   -5.738000     -0.6615000     -0.2165000    
 H   -5.460300     -0.6600000      -1.952800    
 H   -3.332200       2.190000      0.3339000    
 H   -4.367900       1.102700       1.261900    
 H   -3.836500       1.171300      -1.751500    
 H   -5.320400       1.623300     -0.9237000    
 H   -2.462900      0.4629000       2.661900    
 H  -0.9979000     -0.1775000       1.928200    
 H   -1.104000      -2.060600      0.1640000    
 H   -1.650500      -2.235600       1.841700    
 H   -2.346700      -3.249900      0.5898000    
 H   -2.209900      -2.391200      -1.936100    
 H   -3.498900      -1.703400      -2.918300    
 H   -2.332100     -0.6367000      -2.121100    
 H   -1.970300       2.721300       1.666800    
 H  -0.6302000       2.081600       2.573100    
 H   0.1230000       3.053400      0.4415000    
 H  -0.8197000       1.862800     -0.4798000    
 H    1.411200      -1.221000      0.9802000    
 H    6.040400     -0.5501000     -0.6770000    
 H    3.142800      -2.892800       1.448600    
 H    5.458000      -2.567700      0.6201000    
 H    5.324000       1.339700      -1.541000    


%chk=000049069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049069

0 1
O 0.816364 1.100277 0.626332
O 1.815196 1.849251 -1.340160
O 4.460009 1.035438 -1.573266
N -2.772367 0.266457 0.610750
C -3.032072 -1.201816 0.448470
C -3.749234 -1.459780 -0.917077
C -5.075294 -0.654942 -0.970166
C -4.049877 1.028812 0.613036
C -4.828067 0.845220 -0.703151
C -1.921120 0.638826 1.769905
C -1.750320 -2.054846 0.568008
C -2.841305 -1.164603 -2.134816
C -1.224404 2.008793 1.584413
C -0.305390 2.050906 0.364492
C 1.834367 1.084867 -0.348042
C 2.862722 0.053158 -0.019878
C 4.140089 0.030699 -0.658466
C 2.573545 -0.962880 0.932840
C 5.075518 -0.989780 -0.345727
C 3.499425 -1.977240 1.241218
C 4.757850 -1.988819 0.594099
H -3.747296 -1.541542 1.248130
H -4.008539 -2.539820 -0.932958
H -5.767539 -1.047139 -0.195365
H -5.570568 -0.801484 -1.949535
H -3.825833 2.099706 0.766258
H -4.698796 0.703980 1.471338
H -4.248554 1.291961 -1.532331
H -5.789776 1.390749 -0.640936
H -2.506422 0.653773 2.724777
H -1.128608 -0.115448 1.888074
H -0.922984 -1.611679 -0.014365
H -1.416119 -2.175545 1.613609
H -1.946695 -3.067408 0.170403
H -1.990325 -1.867335 -2.187693
H -3.412888 -1.261346 -3.077055
H -2.427388 -0.142981 -2.080408
H -1.971433 2.818682 1.472505
H -0.640136 2.238627 2.496353
H 0.121294 3.054684 0.189671
H -0.837867 1.717849 -0.543895
H 1.597373 -0.934154 1.423502
H 6.054750 -0.994837 -0.842916
H 3.246214 -2.749540 1.974006
H 5.490593 -2.770980 0.820644
H 5.378204 0.902131 -1.922228


