%chk=000043473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043473

0 1
 O    1.020900     -0.7489000      -2.288200    
 O    1.346700       1.103200       2.014500    
 O    4.042800      -2.388300      0.7510000    
 N    2.598000      -1.500900     -0.8015000    
 N    2.760200     -0.5762000       1.348000    
 C    1.495000      0.6461000     -0.3623000    
 C   6.7199998E-02   1.196400     -0.4910000    
 C  -0.9738000      0.1523000     -8.7499999E-02
 C    2.493000       1.693300     -0.8884000    
 C   -2.393700      0.7152000     -0.1848000    
 C    1.644700     -0.5933000      -1.238700    
 C    1.822400      0.4174000       1.110000    
 C   -3.435400     -0.3438000      0.1829000    
 C   -4.879200      0.1443000      3.3700000E-02
 C    2.441700       2.955100     -5.6800000E-02
 C   -5.920100     -0.9361000      0.3302000    
 C    3.204900      -1.537100      0.4480000    
 C   -7.335200     -0.3986000      0.1807000    
 H  -9.2699997E-02   2.075000      0.1432000    
 H  -0.1287000       1.515300      -1.523400    
 H  -0.9133000     -0.7357000     -0.7247000    
 H  -0.8010000     -0.1850000      0.9411000    
 H    2.276100       1.936400      -1.936500    
 H    3.517600       1.300000     -0.8716000    
 H   -2.499100       1.579500      0.4817000    
 H   -2.578700       1.068600      -1.206500    
 H   -3.271400     -0.6724000       1.216600    
 H   -3.293100      -1.225000     -0.4553000    
 H   -5.028100      0.5143000     -0.9884000    
 H   -5.038000      0.9976000      0.7048000    
 H    1.462000       3.437300     -4.6300001E-02
 H    2.786800       2.810500      0.9702000    
 H    3.129400       3.687900     -0.4967000    
 H    2.818300      -2.266900      -1.431900    
 H    3.100300     -0.6603000       2.301900    
 H   -5.782500      -1.313300       1.350100    
 H   -5.780600      -1.783000     -0.3514000    
 H   -7.515300      0.4302000      0.8727000    
 H   -7.513500     -4.1000001E-02 -0.8384000    
 H   -8.064100      -1.186000      0.3968000    


%chk=000043473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043473

0 1
O 1.370662 -0.541342 -2.458963
O 1.519694 1.132496 2.087240
O 3.860028 -2.675151 0.833333
N 2.620380 -1.551141 -0.800446
N 2.741781 -0.699995 1.398202
C 1.563436 0.685404 -0.335320
C 0.089524 1.167393 -0.462215
C -0.963955 0.100514 -0.088396
C 2.573500 1.804992 -0.851046
C -2.406005 0.644076 -0.205216
C 1.805675 -0.506673 -1.279586
C 1.899794 0.401805 1.136072
C -3.480660 -0.412545 0.135553
C -4.924382 0.128720 0.030731
C 2.453695 3.177498 -0.161416
C -6.000017 -0.933129 0.355018
C 3.132097 -1.708066 0.499901
C -7.439605 -0.384510 0.250410
H -0.036100 2.044954 0.195780
H -0.068853 1.492827 -1.507359
H -0.858251 -0.782333 -0.750556
H -0.795038 -0.245873 0.952012
H 2.380544 1.908379 -1.935563
H 3.608647 1.423204 -0.741273
H -2.523890 1.518354 0.468194
H -2.573764 1.016971 -1.237121
H -3.306877 -0.794601 1.163365
H -3.365917 -1.282864 -0.543960
H -5.096347 0.521235 -0.993527
H -5.044424 0.991893 0.718525
H 1.481728 3.656737 -0.368423
H 2.570195 3.105467 0.933039
H 3.243717 3.847437 -0.548078
H 2.852338 -2.300100 -1.461415
H 3.046206 -0.829334 2.368918
H -5.826449 -1.326382 1.377608
H -5.880058 -1.794224 -0.333701
H -7.594068 0.458713 0.949953
H -7.649754 -0.014657 -0.771025
H -8.188725 -1.162052 0.488551


