%chk=000034621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034621

0 1
 O   -2.763200      -2.763900     -0.2630000    
 O   -3.766800       2.603900     -0.3418000    
 O   0.3237000      -1.116100       2.441700    
 O    2.245000      0.5316000       2.047700    
 O    4.702700     -0.3018000      -1.948000    
 N  -0.3711000       2.141400     -0.2917000    
 C   -2.134900     -0.6404000      0.1835000    
 C   -2.337200      0.7509000      0.1896000    
 C   -1.317100       1.702200      0.7328000    
 C   -1.100700      -1.518700      0.6017000    
 C   -3.133800      -1.454700     -0.3403000    
 C   -3.535700       1.258400     -0.3307000    
 C   -4.334800     -0.9798000     -0.8640000    
 C   -1.531300      -2.791900      0.3090000    
 C   0.1596000      -1.208400       1.210700    
 C   -4.515200      0.4064000     -0.8471000    
 C    1.377800     -0.9572000      0.3803000    
 C   0.6068000       3.067600      0.2784000    
 C   -1.079300       2.769000      -1.407000    
 C    2.349000     -0.1022000      0.8458000    
 C    1.470900      -1.602800     -0.8316000    
 C    3.477100      0.1203000      5.6100000E-02
 C    2.598800      -1.380200      -1.621400    
 C    3.602000     -0.5187000      -1.177500    
 C    3.317900       1.394000       2.420200    
 C    5.689900      0.5909000      -1.433600    
 H   -1.817100       2.562400       1.200000    
 H  -0.7804000       1.224400       1.559000    
 H   -5.089400      -1.647000      -1.263300    
 H   -1.102700      -3.775500      0.4380000    
 H   -5.440800      0.8140000      -1.248000    
 H   0.1495000       4.023100      0.5615000    
 H    1.074100       2.652100       1.172700    
 H    1.407800       3.268100     -0.4413000    
 H   -1.672600       2.059700      -1.990700    
 H   -1.684500       3.628500      -1.100400    
 H  -0.3441000       3.152600      -2.126800    
 H   0.7176000      -2.286800      -1.204900    
 H   -4.637700       2.774700     -0.7396000    
 H    4.257000      0.7846000      0.3951000    
 H    2.692000      -1.882300      -2.580600    
 H    3.427600       2.237400       1.730000    
 H    4.252500      0.8393000       2.558200    
 H    3.060000       1.820300       3.395500    
 H    6.492200      0.6444000      -2.177100    
 H    6.139800      0.2083000     -0.5110000    
 H    5.296700       1.607000      -1.320100    


%chk=000034621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034621

0 1
O -2.122826 -2.587264 -0.239199
O -5.018109 2.170218 0.048556
O 0.098582 0.817869 1.890551
O 2.772720 0.087385 2.311451
O 5.253017 -0.404023 -1.939757
N -1.074014 2.413296 -0.524274
C -2.275360 -0.297594 0.169240
C -2.940699 0.956880 0.217172
C -2.179945 2.245026 0.463140
C -0.878994 -0.710604 0.323955
C -3.000223 -1.474319 -0.169041
C -4.338745 0.931259 -0.013515
C -4.378107 -1.504382 -0.409891
C -0.845889 -2.069914 0.054600
C 0.271416 0.073285 0.874905
C -5.050114 -0.268054 -0.311886
C 1.602415 -0.112705 0.216262
C -0.094011 3.425103 -0.082167
C -1.560444 2.649046 -1.897790
C 2.845288 -0.038601 0.925246
C 1.661383 -0.301813 -1.192653
C 4.081764 -0.137476 0.236203
C 2.873174 -0.394159 -1.892175
C 4.087887 -0.307387 -1.169543
C 4.020233 0.137667 3.076569
C 6.544215 -0.305233 -1.254189
H -2.883636 3.106783 0.447392
H -1.706805 2.194008 1.461685
H -4.902488 -2.429068 -0.662548
H -0.038328 -2.797137 0.064492
H -6.133538 -0.228419 -0.483443
H -0.533339 4.448763 0.026732
H 0.327240 3.117751 0.891469
H 0.730603 3.484092 -0.815483
H -2.230554 1.826339 -2.202667
H -2.125370 3.609362 -2.004309
H -0.702390 2.675198 -2.593785
H 0.716964 -0.340365 -1.743989
H -5.978161 2.048059 -0.153841
H 5.021513 -0.089055 0.790207
H 2.906788 -0.520072 -2.977342
H 4.634962 1.013084 2.789672
H 4.610492 -0.791960 2.953355
H 3.700494 0.238380 4.123593
H 7.297908 -0.397073 -2.049605
H 6.674749 -1.125277 -0.521434
H 6.655883 0.672202 -0.745919


