%chk=000006669.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006669

0 1
 O   -1.238500       2.965500       1.091200    
 O   -1.212700      -2.965400      -1.102400    
 O   -1.210000       2.961000      -1.103800    
 O   -1.242000      -2.967300       1.092700    
 O    3.971400     -3.1999999E-03   1.127000    
 N  -0.9238000       2.441100     -1.3000000E-03
 N  -0.9261000      -2.444400     -3.9999999E-04
 C   -2.447700     -3.9999999E-04 -1.9500000E-02
 C  -0.9102000     -1.8000000E-03  1.2000001E-03
 C  -0.2122000       1.205900      1.0500000E-02
 C  -0.2135000      -1.210000      1.0200000E-02
 C   -2.949500      0.7270000      -1.285700    
 C   -2.983700      0.7293000       1.231200    
 C   -3.074100      -1.413300     -2.6600000E-02
 C    1.182600       1.205300      2.8899999E-02
 C    1.181400      -1.210700      2.8600000E-02
 C    1.879300     -3.1000001E-03  3.7999999E-02
 C    1.937300       2.499900      3.9299998E-02
 C    1.934500      -2.506200      3.7700001E-02
 C    3.339400     -4.1000000E-03  5.5399999E-02
 C    4.117900     -5.2999998E-03  -1.252400    
 H   -3.898800      0.2977000      -1.632800    
 H   -3.193300       1.780000      -1.129700    
 H   -2.253100      0.6315000      -2.126900    
 H   -3.942900      0.3020000       1.552300    
 H   -2.311000      0.6340000       2.091600    
 H   -3.221300       1.782500       1.067200    
 H   -4.167000      -1.227900     -4.0700000E-02
 H   -3.031800      -1.956800     -0.9700000    
 H   -3.055600      -1.955100      0.9186000    
 H    1.939800       2.936900     -0.9649000    
 H    1.489500       3.215800      0.7368000    
 H    2.976700       2.401800      0.3638000    
 H    1.479400      -3.227700      0.7246000    
 H    1.948200      -2.935300     -0.9697000    
 H    2.970000      -2.410400      0.3754000    
 H    4.739800      0.8921000      -1.301400    
 H    3.433500     -5.5999998E-03  -2.105300    
 H    4.739100     -0.9033000      -1.300100    


%chk=000006669-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006669

0 1
O -1.371637 2.987621 1.023235
O -0.715579 -3.361438 -0.500272
O -0.775124 3.269208 -1.157919
O -1.340930 -2.657113 1.574406
O 4.128509 0.399943 0.958899
N -0.846624 2.572422 -0.078322
N -0.812232 -2.461598 0.415245
C -2.561138 0.021259 -0.068029
C -0.994170 0.039762 0.007629
C -0.206823 1.225505 -0.066825
C -0.193037 -1.130076 0.158609
C -3.135778 1.180537 -0.947692
C -3.128325 0.152574 1.381714
C -3.114155 -1.290376 -0.718623
C 1.213448 1.284645 -0.075679
C 1.226376 -1.169637 0.150959
C 1.919451 0.057752 0.004584
C 1.940109 2.615549 -0.171858
C 1.978111 -2.478378 0.335727
C 3.444237 0.056044 -0.039469
C 4.077172 -0.335583 -1.365362
H -4.200700 0.962817 -1.138693
H -3.110794 2.163430 -0.455914
H -2.629512 1.251738 -1.926791
H -4.233211 0.138634 1.339653
H -2.793178 -0.685050 2.016799
H -2.809223 1.100692 1.847330
H -4.180832 -1.128326 -0.950875
H -2.600924 -1.535045 -1.665613
H -3.078521 -2.164102 -0.052406
H 1.822980 3.056081 -1.178040
H 1.532729 3.348667 0.547386
H 3.011383 2.506917 0.048358
H 1.553681 -3.073754 1.163619
H 1.917969 -3.105144 -0.571879
H 3.037793 -2.302691 0.576450
H 3.847134 0.442458 -2.120230
H 3.652670 -1.279734 -1.751792
H 5.169693 -0.424210 -1.259721


