%chk=000004497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004497

0 1
 O   -3.563000      0.1795000     -0.8797000    
 O    2.128900      -1.773800     -0.7043000    
 O   -3.284100       1.528400      0.9810000    
 O   0.6603000      -3.154200      -1.843000    
 O    4.198200      2.7600000E-02  -1.280500    
 O    2.918400       3.575300       1.724700    
 O    2.070700       1.922800       2.895000    
 N   -1.197100      -2.169200       2.104400    
 N    2.194600       2.554500       1.817900    
 C  -0.8760000     -0.6970000     -0.2963000    
 C   -2.019600     -0.4556000      0.6940000    
 C  -2.8500000E-02  -1.922300      6.1000001E-02
 C  -4.0000002E-03  0.5225000     -0.3806000    
 C   -2.116900      -1.167400       1.839600    
 C  -0.2020000      -2.577700       1.231100    
 C   -3.023700      0.5488000      0.3072000    
 C   0.6837000      0.9682000      0.7483000    
 C   0.9392000      -2.372700     -0.9527000    
 C   0.1186000       1.209500      -1.588200    
 C   -3.168400     -0.9740000       2.898700    
 C   0.6073000      -3.757200       1.698500    
 C    1.494000       2.100700      0.6693000    
 C   0.9289000       2.342100      -1.667300    
 C   -4.564400       1.064200      -1.392600    
 C    1.616600       2.787700     -0.5385000    
 C    3.180900      -2.113700      -1.613300    
 C   -3.897500       2.138700      -2.237900    
 C   -5.579000      0.2620000      -2.193100    
 C    4.441200      -1.372200      -1.211200    
 C    5.342500      0.7745000     -0.8916000    
 H   -1.323400     -0.9109000      -1.277300    
 H   -1.296900      -2.680400       2.974300    
 H   0.5824000      0.4260000       1.685000    
 H  -0.4112000      0.8751000      -2.476000    
 H   -3.634500      -1.934000       3.147500    
 H   -3.975000     -0.3026000       2.594900    
 H   -2.714500     -0.5676000       3.808600    
 H    1.097800      -3.525200       2.650100    
 H    1.388000      -4.047600      0.9897000    
 H  -4.2599998E-02  -4.626100       1.848000    
 H    1.024300       2.876400      -2.608000    
 H   -5.111400       1.542400     -0.5698000    
 H    2.239600       3.672800     -0.6376000    
 H    2.879800      -1.813400      -2.623600    
 H    3.357200      -3.194600      -1.584300    
 H   -3.323000       1.690300      -3.056000    
 H   -4.636000       2.825000      -2.663600    
 H   -3.188700       2.721500      -1.640200    
 H   -6.039900     -0.5060000      -1.562600    
 H   -6.368100      0.9039000      -2.596100    
 H   -5.094100     -0.2629000      -3.023600    
 H    4.711500      -1.634500     -0.1818000    
 H    5.263800      -1.640500      -1.883100    
 H    5.611000      0.5526000      0.1458000    
 H    6.185800      0.5589000      -1.554800    
 H    5.100900       1.838100     -0.9683000    


%chk=000004497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004497

0 1
O -3.385283 0.204601 -1.006644
O 2.403919 -2.080738 -1.025993
O -4.321252 -0.417725 1.037153
O 1.019656 -0.835232 -2.425671
O 5.248690 -2.653232 -0.788942
O 0.250064 5.561444 1.871261
O -0.293211 3.706366 3.077914
N -0.165660 -1.151182 2.217757
N -0.039161 4.305021 1.959769
C -0.793880 -0.147131 -0.338577
C -1.880037 -0.463907 0.694414
C 0.478190 -0.973628 -0.072741
C -0.455925 1.359592 -0.383429
C -1.520844 -0.874193 1.965809
C 0.802352 -1.346855 1.221602
C -3.293163 -0.243622 0.320991
C -0.421307 2.139763 0.793749
C 1.287695 -1.258342 -1.263279
C -0.145639 1.982292 -1.621844
C -2.423421 -1.103709 3.156286
C 2.075598 -1.995659 1.720337
C -0.078752 3.505690 0.711224
C 0.188423 3.354582 -1.684579
C -4.765952 0.490123 -1.535286
C 0.227027 4.138027 -0.513527
C 3.309543 -2.279003 -2.185023
C -5.182225 1.901748 -1.096519
C -4.658460 0.315735 -3.052136
C 4.365194 -3.287013 -1.769167
C 6.311687 -3.551702 -0.343424
H -1.163031 -0.415984 -1.341045
H 0.091685 -1.386727 3.177714
H -0.665001 1.714117 1.770048
H -0.153322 1.371462 -2.530003
H -2.549048 -2.187061 3.347425
H -3.419584 -0.680280 2.975121
H -1.984942 -0.647636 4.065187
H 2.207847 -1.803852 2.802189
H 2.957412 -1.632411 1.175238
H 2.044772 -3.089753 1.564302
H 0.420483 3.814081 -2.651019
H -5.445537 -0.259058 -1.087668
H 0.481613 5.200764 -0.527085
H 3.769514 -1.311261 -2.453537
H 2.723192 -2.644553 -3.047573
H -4.459651 2.650487 -1.466872
H -6.179299 2.144680 -1.507837
H -5.237434 1.968705 0.002700
H -4.323494 -0.703897 -3.308499
H -5.643891 0.489148 -3.521316
H -3.938102 1.037081 -3.476978
H 3.885252 -4.192956 -1.338061
H 4.945447 -3.591458 -2.670449
H 5.901153 -4.457734 0.151818
H 6.958992 -3.870046 -1.188981
H 6.913708 -2.981266 0.380796


