%chk=000004255.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004255

0 1
 O   -5.160100     -0.9376000      0.2140000    
 O    4.328300     -0.5718000      0.4252000    
 O    2.713500     -0.6102000       1.744000    
 N   -2.544100      5.1800001E-02 -0.3322000    
 N   -1.196600      0.5879000     -0.1636000    
 N  -0.9109000       1.813000      0.2960000    
 N    2.348300      0.3017000     -0.3975000    
 C   -3.641300      0.9464000      5.2600000E-02
 C   -2.762600      -1.303800      0.1843000    
 C   -4.986700      0.3578000     -0.3590000    
 C   -4.134600      -1.824900     -0.2307000    
 C  -4.4300001E-02 -0.1256000     -0.4791000    
 C   0.5793000       1.933300      0.2938000    
 C    1.039300      0.6110000     -0.2318000    
 C    3.003300     -0.2556000      0.5860000    
 C    4.958300     -0.2762000     -0.8335000    
 C    6.410900     -0.6972000     -0.7686000    
 H   -3.532200       1.924700     -0.4307000    
 H   -3.627400       1.102500       1.139300    
 H   -2.689300      -1.294300       1.279700    
 H   -2.014100      -2.008400     -0.1934000    
 H   -5.799100      0.9947000      5.5999998E-03
 H   -5.081800      0.2919000      -1.449800    
 H   -4.206100      -1.952700      -1.317800    
 H   -4.317200      -2.801200      0.2296000    
 H  -5.5100001E-02  -1.128300     -0.8787000    
 H   0.9345000       2.118300       1.312400    
 H   0.8815000       2.757500     -0.3601000    
 H    4.449300     -0.8266000      -1.632200    
 H    4.894700      0.7999000      -1.028500    
 H    6.921900     -0.4864000      -1.712200    
 H    6.928900     -0.1704000      3.9600000E-02
 H    6.492400      -1.767700     -0.5534000    


%chk=000004255-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004255

0 1
O -5.233697 -0.894951 -0.119468
O 4.636815 0.506837 0.059912
O 3.172880 1.943026 1.077042
N -2.519186 0.020517 -0.267915
N -1.196752 0.383968 0.064939
N -0.997862 1.473129 0.828493
N 2.334786 0.082620 -0.184352
C -3.555634 0.874898 0.373764
C -2.811454 -1.440821 -0.183299
C -4.914810 0.534841 -0.259549
C -4.203173 -1.691046 -0.793715
C -0.071926 -0.283602 -0.407074
C 0.487472 1.595145 0.880843
C 1.064223 0.419072 0.072322
C 3.335973 0.908972 0.362246
C 4.848270 -0.706947 -0.781215
C 6.360474 -0.871366 -0.912115
H -3.299536 1.932312 0.202938
H -3.578973 0.706195 1.470569
H -2.789313 -1.778071 0.875403
H -2.061483 -2.011635 -0.754002
H -5.720460 1.073934 0.263155
H -4.913949 0.816985 -1.333687
H -4.182865 -1.450139 -1.878069
H -4.493738 -2.744372 -0.654181
H -0.117333 -1.134090 -1.077123
H 0.828679 1.591564 1.933088
H 0.815078 2.572731 0.478522
H 4.371982 -1.573136 -0.288497
H 4.355833 -0.556255 -1.758471
H 6.591584 -1.759109 -1.529903
H 6.811320 0.015149 -1.390287
H 6.827676 -1.002855 0.078982


