%chk=000055217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055217

0 1
 O   2.9999999E-02 -0.8021000      -1.581900    
 O   0.8483000       2.290400     -0.5118000    
 O    2.461500      -2.156900      0.2498000    
 N   -4.285600     -0.5049000      0.2260000    
 N  -0.5392000     -0.6021000      0.6557000    
 C   -2.892600     -3.6800001E-02  0.2376000    
 C   -2.903300       1.026700       1.337900    
 C   -4.347800       1.508100       1.418700    
 C   -5.092800      0.7100000      0.3617000    
 C   -1.885600      -1.142100      0.5295000    
 C   -4.635400      -1.246200     -0.9797000    
 C   -6.086300      -1.695800     -0.9462000    
 C   0.3055000     -0.4810000     -0.4288000    
 C    1.655200      6.3000001E-02 -0.1298000    
 C    2.674600     -0.8101000      0.1978000    
 C    1.853600       1.429000     -0.1884000    
 C    3.941300     -0.2973000      0.4774000    
 C    5.072100      -1.204500      0.8356000    
 C    3.120400       1.941700      9.1300003E-02
 C    4.164100       1.078600      0.4242000    
 C    5.860400      -1.669400     -0.3833000    
 C   0.6814000       2.601800      -1.893300    
 H   -2.643500      0.4549000     -0.7142000    
 H   -2.602000      0.6228000       2.312100    
 H   -2.225700       1.853200       1.096500    
 H   -4.427600       2.585300       1.241100    
 H   -4.751000       1.301500       2.417100    
 H   -5.130300       1.282700     -0.5742000    
 H   -6.116400      0.5067000      0.6915000    
 H   -1.884500      -1.896600     -0.2641000    
 H   -2.113700      -1.649200       1.473900    
 H   -4.014100      -2.145800      -1.052900    
 H   -4.455900     -0.6560000      -1.887100    
 H  -0.2222000     -0.3118000       1.576400    
 H   -6.317100      -2.236500     -2.2000000E-02
 H   -6.783100     -0.8576000      -1.044100    
 H   -6.282100      -2.375000      -1.783100    
 H    4.732000      -2.063600       1.425400    
 H    5.758800     -0.6732000       1.508400    
 H    3.301500       3.012500      5.2000001E-02
 H    5.146300       1.492200      0.6375000    
 H    6.282300     -0.8192000     -0.9300000    
 H    6.687300      -2.316600     -7.3799998E-02
 H    5.229000      -2.233800      -1.077500    
 H    3.294800      -2.643700      0.1579000    
 H  -0.2191000       3.212900      -1.999300    
 H    1.538700       3.177400      -2.256300    
 H   0.5605000       1.695700      -2.493900    


%chk=000055217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055217

0 1
O -0.407070 0.053664 -1.729157
O 1.194286 2.425225 -1.771912
O 2.076637 -1.381106 1.148988
N -4.224013 -0.430537 0.183537
N -0.445191 -0.579797 0.499259
C -2.877367 0.072963 0.603231
C -3.054821 0.532749 2.081037
C -4.416061 -0.074762 2.515711
C -5.225764 -0.038386 1.204171
C -1.833437 -1.061257 0.412447
C -4.577152 -0.152660 -1.224065
C -5.769767 -0.994592 -1.714270
C 0.188020 -0.048486 -0.605256
C 1.621508 0.406427 -0.422026
C 2.566496 -0.295165 0.379025
C 2.092225 1.560307 -1.121140
C 3.944227 0.052526 0.437288
C 4.932536 -0.767210 1.256927
C 3.454057 1.934509 -1.067989
C 4.365716 1.177233 -0.307307
C 5.329234 -2.110269 0.579217
C 1.047785 2.239805 -3.232322
H -2.552210 0.926653 -0.031258
H -2.214372 0.209233 2.721354
H -3.101885 1.635864 2.133475
H -4.899752 0.490486 3.331181
H -4.290706 -1.122412 2.845536
H -5.628353 0.993066 1.026545
H -6.082103 -0.736748 1.212298
H -1.987844 -1.508886 -0.585484
H -1.994061 -1.844849 1.174633
H -3.689644 -0.377338 -1.844906
H -4.803634 0.935646 -1.375553
H 0.122531 -0.793377 1.322024
H -5.556726 -2.070269 -1.581935
H -6.693799 -0.755718 -1.156784
H -5.963976 -0.801506 -2.785418
H 4.539486 -0.965723 2.278345
H 5.847520 -0.168141 1.413061
H 3.768809 2.839320 -1.596721
H 5.420755 1.473263 -0.268265
H 5.808125 -1.919361 -0.396926
H 6.041097 -2.675447 1.207862
H 4.453745 -2.759169 0.386938
H 2.818944 -1.845174 1.607752
H 0.413936 3.074875 -3.568022
H 2.034822 2.289512 -3.734766
H 0.549911 1.274316 -3.423057


