%chk=000058132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058132

0 1
 O    1.620800       2.430600     -0.3558000    
 O    2.725100      5.9099998E-02  -1.786800    
 N   -2.157900      0.6091000      0.3084000    
 N    3.269300     -7.5400002E-02  0.4955000    
 C   -1.749900     -0.6978000      0.1638000    
 C   -1.094900       1.456400      0.1462000    
 C  -0.3786000     -0.6734000     -9.9299997E-02
 C   2.0900000E-02  0.6923000     -0.1073000    
 C   -3.516400       1.025300      0.5911000    
 C   -2.482400      -1.887500      0.2449000    
 C   -1.243600       2.924700      0.2488000    
 C   0.2969000      -1.895000     -0.2910000    
 C    1.336900       1.221400     -0.3343000    
 C   -4.321100       1.260200     -0.6757000    
 C   -1.791100      -3.086800      5.1199999E-02
 C  -0.4228000      -3.092900     -0.2128000    
 C    2.530400      0.3363000     -0.6091000    
 C    4.433700     -0.9387000      0.3680000    
 C    2.924600      0.3320000       1.854300    
 H   -3.992300      0.2510000       1.202300    
 H   -3.491900       1.923100       1.216800    
 H   -3.548300      -1.896000      0.4451000    
 H  -0.9771000       3.261900       1.255700    
 H  -0.5968000       3.441700     -0.4664000    
 H   -2.254300       3.277400      2.8899999E-02
 H    1.358700      -1.948900     -0.5007000    
 H   -4.387800      0.3469000      -1.276400    
 H   -3.868900       2.036000      -1.301600    
 H   -5.338400       1.575700     -0.4245000    
 H   -2.330600      -4.028900      0.1062000    
 H   9.2500001E-02  -4.038300     -0.3606000    
 H    5.310000     -0.4130000      0.7576000    
 H    4.609400      -1.202700     -0.6781000    
 H    4.262200      -1.851900      0.9449000    
 H    3.809800      0.7778000       2.318500    
 H    2.636600     -0.5613000       2.416900    
 H    2.111600       1.055500       1.908400    


%chk=000058132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058132

0 1
O 1.672592 2.392235 0.178038
O 2.510613 -0.295712 -1.557450
N -2.286955 0.632252 0.327052
N 3.469656 -0.046165 0.561854
C -1.896525 -0.715251 0.156927
C -1.166893 1.456047 0.257449
C -0.474245 -0.742485 -0.028260
C -0.013893 0.649032 0.046377
C -3.685836 1.075261 0.467250
C -2.696637 -1.876524 0.160837
C -1.278240 2.946725 0.393955
C 0.152185 -1.999314 -0.232961
C 1.349211 1.164890 -0.002053
C -4.420650 1.163417 -0.888773
C -2.044853 -3.112335 -0.028479
C -0.636905 -3.167607 -0.226422
C 2.486101 0.193801 -0.380638
C 4.637720 -0.859594 0.184881
C 3.469825 0.500595 1.927163
H -4.203645 0.367051 1.139741
H -3.689051 2.057814 0.968272
H -3.781880 -1.832217 0.301114
H -1.631941 3.238372 1.402729
H -0.284656 3.391616 0.239780
H -1.985892 3.372282 -0.342791
H 1.224240 -2.065927 -0.428582
H -4.425808 0.186008 -1.401007
H -3.932149 1.894851 -1.555856
H -5.467673 1.480533 -0.733667
H -2.630223 -4.038330 -0.032918
H -0.157821 -4.139115 -0.390505
H 5.564493 -0.256921 0.243590
H 4.498192 -1.208947 -0.849939
H 4.737363 -1.730248 0.860516
H 4.318552 1.197535 2.066246
H 3.563698 -0.321844 2.662330
H 2.542227 1.054121 2.127300


