%chk=000054486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054486

0 1
 O  -0.8615000     -0.3648000      6.2500000E-02
 O    2.597500       1.870500      0.1596000    
 O   0.1011000      -2.314400     -0.6463000    
 N   -4.531400     -0.3489000     -0.1994000    
 N    1.376200     -0.5207000      0.1517000    
 C   -5.572000      0.6408000      7.7299997E-02
 C   -4.892600      -1.515000      0.6064000    
 C   -6.845400     -0.1917000      6.5099999E-02
 C   -6.399400      -1.607700      0.4163000    
 C   -3.197800      0.1466000      0.1069000    
 C   -2.145800     -0.8962000     -0.2358000    
 C   0.2132000      -1.183300     -0.1895000    
 C    1.319900       3.847100     -0.2814000    
 C    3.763000     -0.1827000      0.4466000    
 C    2.705900     -0.9904000      5.5199999E-02
 C    2.352500       3.191100      0.6241000    
 C    3.543600       1.196400      0.9785000    
 C  -2.9000000E-03   3.086300     -0.2714000    
 C    5.068000     -0.6644000      0.3435000    
 C    2.923400      -2.268800     -0.4370000    
 C   -1.044800       3.768800      -1.143100    
 C    5.300700      -1.948300     -0.1498000    
 C    4.228500      -2.750400     -0.5399000    
 H   -5.441400       1.103200       1.064200    
 H   -5.600800       1.432500     -0.6780000    
 H   -4.412100      -2.437200      0.2658000    
 H   -4.661500      -1.366300       1.669100    
 H   -7.582100      0.1904000      0.7789000    
 H   -7.306000     -0.1843000     -0.9299000    
 H   -6.648300      -2.289000     -0.4059000    
 H   -6.895800      -1.976300       1.319800    
 H   -3.098600      0.4416000       1.160200    
 H   -2.993400       1.051100     -0.4791000    
 H   -2.195000      -1.149600      -1.301900    
 H   -2.278900      -1.807400      0.3570000    
 H    1.704400       3.876700      -1.308300    
 H    1.160400       4.881800      4.3099999E-02
 H    1.986200       3.161600       1.656900    
 H    3.282900       3.769600      0.5963000    
 H    4.480200       1.766900      0.9805000    
 H    3.173600       1.130900       2.009100    
 H    1.251900      0.4142000      0.5283000    
 H  -0.3844000       3.004000      0.7526000    
 H   0.1447000       2.070700     -0.6503000    
 H    5.914700     -5.3199999E-02  0.6448000    
 H    2.152000      -2.951800     -0.7597000    
 H   -1.984300       3.208700      -1.124100    
 H  -0.7074000       3.830100      -2.182700    
 H   -1.248700       4.783900     -0.7877000    
 H    6.316800      -2.323700     -0.2296000    
 H    4.411300      -3.750100     -0.9236000    


%chk=000054486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054486

0 1
O -0.748339 -0.503780 -0.038770
O 2.530163 1.834587 0.117741
O 0.208338 -2.643186 -0.267309
N -4.474245 -0.438093 -0.234581
N 1.501620 -0.667687 0.017709
C -5.466148 0.656103 -0.400764
C -5.026966 -1.307027 0.841167
C -6.817285 -0.090752 -0.366964
C -6.566049 -1.294454 0.602728
C -3.092531 0.028959 -0.024739
C -2.090638 -1.120798 -0.178918
C 0.340446 -1.402033 -0.111862
C 1.122997 3.818205 -0.150111
C 3.879488 -0.227351 0.277765
C 2.835686 -1.142950 -0.068721
C 2.267974 3.188217 0.649017
C 3.581998 1.128128 0.888485
C -0.259787 3.179137 0.114010
C 5.223311 -0.639754 0.135167
C 3.158640 -2.455056 -0.503405
C -1.385032 3.865326 -0.690072
C 5.550739 -1.941320 -0.305924
C 4.509565 -2.845743 -0.613326
H -5.411644 1.397549 0.438921
H -5.290602 1.198749 -1.346828
H -4.598966 -2.323343 0.786768
H -4.787961 -0.891655 1.854500
H -7.641514 0.561873 -0.030286
H -7.064558 -0.460613 -1.376642
H -6.908046 -2.239188 0.147632
H -7.106514 -1.171722 1.557569
H -2.952194 0.507453 0.979369
H -2.860940 0.793499 -0.789612
H -2.182061 -1.594723 -1.171911
H -2.208454 -1.899686 0.595771
H 1.370253 3.756227 -1.228021
H 1.082604 4.897009 0.106671
H 2.006616 3.118378 1.729389
H 3.198417 3.788339 0.551981
H 4.502646 1.746329 0.906597
H 3.221258 1.014744 1.937168
H 1.414675 0.362924 0.078499
H -0.487065 3.243448 1.198268
H -0.233364 2.102771 -0.136622
H 6.024375 0.067115 0.384599
H 2.350574 -3.150041 -0.741363
H -2.366230 3.398731 -0.484427
H -1.196633 3.789931 -1.777674
H -1.462711 4.939959 -0.436412
H 6.598604 -2.242682 -0.405689
H 4.745789 -3.861156 -0.950637


