%chk=000064585.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064585

0 1
 O  -0.4297000      0.8377000     -0.5187000    
 O  -0.8831000      0.6494000       1.736900    
 O   -2.470200      -1.820800     -0.2634000    
 O   -4.417200      -1.243200      0.7438000    
 N   -4.637400      0.8607000      -1.038800    
 C   0.8989000      0.3859000     -0.2996000    
 C    2.319800      -1.519300      0.5377000    
 C    3.087100     -0.1406000      -1.433100    
 C    3.072900      0.8647000      0.8817000    
 C   0.8810000      -1.025000      0.3152000    
 C    1.644600      0.3469000      -1.645600    
 C    1.630000       1.344800      0.6558000    
 C    3.057800      -1.549000     -0.8129000    
 C    3.044800     -0.5496000       1.488000    
 C    3.807200      0.8203000     -0.4703000    
 C   -1.222100      0.9245000      0.5930000    
 C   -2.609600       1.387400      0.2166000    
 C   -3.296900      0.3770000     -0.7008000    
 C   -3.477900     -0.9518000      1.4400000E-02
 H    2.305200      -2.525000      0.9722000    
 H    3.614700     -0.1687000      -2.392900    
 H    3.591800       1.550400       1.560900    
 H   0.3559000      -1.099300       1.269700    
 H   0.3505000      -1.711800     -0.3575000    
 H    1.639900       1.341900      -2.109100    
 H    1.117500     -0.3101000      -2.349500    
 H    1.631700       2.357700      0.2309000    
 H    1.161800       1.450700       1.636800    
 H    4.081600      -1.916600     -0.6715000    
 H    2.560000      -2.248200      -1.496000    
 H    2.537500     -0.5297000       2.460300    
 H    4.068500     -0.8992000       1.669600    
 H    4.844000      0.4940000     -0.3223000    
 H    3.848800       1.825800     -0.9068000    
 H   -2.523700       2.372600     -0.2568000    
 H   -3.176400       1.524700       1.146500    
 H   -2.736000      0.2167000      -1.628300    
 H   -5.071900      0.2239000      -1.706000    
 H   -4.565500       1.760600      -1.512200    
 H   -2.591900      -2.680200      0.1936000    


%chk=000064585-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064585

0 1
O -0.447650 0.807195 -0.336795
O -1.130583 0.631567 1.904539
O -2.682042 -1.799333 -0.046893
O -4.881199 -1.151196 0.337003
N -4.495281 1.039367 -1.533448
C 0.977393 0.340367 -0.110602
C 2.505865 -1.559872 0.502753
C 3.072310 -0.057477 -1.460571
C 3.222450 0.841897 0.906864
C 1.016956 -1.106509 0.433575
C 1.587829 0.395435 -1.526855
C 1.735340 1.301096 0.835029
C 3.138512 -1.509954 -0.914817
C 3.286304 -0.610765 1.454280
C 3.854472 0.890840 -0.510892
C -1.366505 0.892080 0.701255
C -2.704914 1.371590 0.149998
C -3.354742 0.389738 -0.879302
C -3.753718 -0.904805 -0.144707
H 2.545709 -2.594962 0.894639
H 3.510827 -0.017560 -2.476459
H 3.773168 1.521211 1.586188
H 0.555419 -1.143433 1.435575
H 0.434644 -1.768575 -0.235513
H 1.510549 1.427249 -1.918997
H 1.007685 -0.263715 -2.200381
H 1.670381 2.334803 0.442818
H 1.276507 1.284390 1.838887
H 4.191793 -1.851844 -0.871267
H 2.598249 -2.197273 -1.596313
H 2.850949 -0.652050 2.472163
H 4.342059 -0.938371 1.533430
H 4.918568 0.585355 -0.462108
H 3.828719 1.927364 -0.903155
H -2.557596 2.317159 -0.399440
H -3.389416 1.550759 0.996823
H -2.588234 0.145304 -1.632960
H -5.306211 1.144572 -0.912291
H -4.761871 0.605406 -2.422883
H -2.948695 -2.586850 0.502330


