%chk=000123982.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123982

0 1
 O   0.8504000      0.1245000       2.170900    
 O    3.701000     -0.8681000      0.6852000    
 O  -0.7620000       2.733800      -1.424200    
 O  -0.1237000       4.564100     -0.2593000    
 O    4.391600      -1.373000      -1.875600    
 N   0.5932000       1.040400      5.3199999E-02
 N    3.221400      -1.906100      -1.319300    
 C   0.4405000      -1.368900      0.3017000    
 C  -0.8277000      -2.047200      0.8630000    
 C    1.703600      -2.228600      0.5105000    
 C   0.6473000     -4.0000002E-03  0.9656000    
 C   -2.115200      -1.472900      0.3261000    
 C   0.7731000       2.425700      0.4233000    
 C    2.977000      -1.578300     -7.4999998E-03
 C   -2.719300     -0.4175000      0.9922000    
 C   -2.672400      -2.009800     -0.8243000    
 C    2.241700       2.814300      0.3438000    
 C   -3.909700      0.1138000      0.4958000    
 C   -3.862800      -1.478300      -1.320700    
 C  -6.6600002E-02   3.352400     -0.4400000    
 C   -4.481400     -0.4165000     -0.6605000    
 H   0.3173000      -1.232100     -0.7808000    
 H  -0.8036000      -3.119200      0.6247000    
 H  -0.8372000      -1.997900       1.960100    
 H    1.572900      -3.205100      2.7700000E-02
 H    1.855100      -2.429400       1.578800    
 H   0.4376000      0.8356000     -0.9293000    
 H   0.4159000       2.544500       1.453100    
 H   -2.284200      2.6000000E-03   1.894500    
 H   -2.197000      -2.834700      -1.347200    
 H    2.392500       3.855500      0.6478000    
 H    2.853300       2.178900      0.9933000    
 H    2.622500       2.708800     -0.6786000    
 H   -4.391200      0.9406000       1.009700    
 H   -4.307600      -1.890600      -2.221600    
 H   -5.408000     -2.6000000E-03  -1.047200    
 H    2.712900      -2.582400      -1.877300    
 H   -1.293600       3.367300      -1.951800    
 H    4.032200     -0.5763000      -2.301200    


%chk=000123982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123982

0 1
O 1.794211 -0.139602 1.419716
O 3.305117 -2.743050 -1.810685
O -1.392835 2.649065 -0.885254
O -0.869359 4.171322 0.795579
O 5.038891 -1.082550 -0.654738
N 0.349099 0.858066 -0.089654
N 3.846224 -1.499808 0.035979
C 0.552443 -1.604050 -0.144404
C -0.775649 -2.120900 0.515225
C 1.678465 -2.650863 0.073755
C 0.956606 -0.243202 0.455970
C -2.009168 -1.291715 0.187074
C 0.588381 2.211712 0.439375
C 2.977689 -2.309989 -0.645435
C -2.639696 -0.494032 1.175400
C -2.555946 -1.302827 -1.124137
C 1.868025 2.861705 -0.160314
C -3.786811 0.272531 0.866442
C -3.699831 -0.535770 -1.438768
C -0.612696 3.116630 0.183764
C -4.320193 0.255347 -0.442952
H 0.377984 -1.483383 -1.231779
H -0.920968 -3.160700 0.161704
H -0.623984 -2.169725 1.610062
H 1.343081 -3.624591 -0.323060
H 1.857658 -2.755595 1.158793
H -0.366085 0.755015 -0.815543
H 0.726280 2.135700 1.533183
H -2.232365 -0.478336 2.193854
H -2.094333 -1.929311 -1.898604
H 2.032506 3.859242 0.281685
H 2.733900 2.221392 0.073724
H 1.782036 2.961195 -1.256036
H -4.265766 0.875065 1.646535
H -4.113394 -0.564312 -2.453267
H -5.216368 0.839292 -0.681601
H 3.593383 -0.914376 0.842207
H -2.175907 3.243349 -1.031899
H 4.959178 -1.624639 -1.507294


