%chk=000018702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018702

0 1
 O   0.7432000       1.808500      -1.742600    
 O    4.765500      0.8355000      0.6281000    
 O    3.466700       1.962000      -1.536700    
 O   -5.195200       1.847400     -0.1203000    
 O   -4.567300     -0.3518000      -1.687500    
 O   0.3247000      -4.598900     -0.1419000    
 N   0.2671000      -2.286400     -0.3959000    
 C  -0.7397000      -2.004900      0.6096000    
 C  -0.1421000      -1.976000       2.034700    
 C   0.4981000     -0.6683000       2.518800    
 C   -1.541800     -0.7716000      0.1835000    
 C    1.283700      5.1100001E-02   1.454200    
 C   0.6145000      0.6343000      0.3577000    
 C  -0.8718000      0.5364000      0.2612000    
 C    2.680300      0.1286000       1.531700    
 C    1.359000       1.271500     -0.6475000    
 C   -2.775800     -0.9819000     -0.3106000    
 C   -1.501500       1.723600      0.3514000    
 C    3.407700      0.7737000      0.5317000    
 C    2.749000       1.342200     -0.5563000    
 C   -3.775200     -9.8000001E-03 -0.8112000    
 C   0.7087000      -3.563900     -0.6803000    
 C   -2.911800       2.007700      0.3801000    
 C   -3.918100       1.309100     -0.1519000    
 C    1.735600      -3.575000      -1.780800    
 C    5.316200       1.963300       1.305200    
 C    3.897100       1.155800      -2.630700    
 C   -5.876600       1.437700       1.046400    
 H   -1.404200      -2.880700      0.6045000    
 H   0.6055000      -2.776000       2.121600    
 H  -0.9342000      -2.232100       2.751200    
 H  -0.2765000      6.8999999E-03   2.905700    
 H    1.137200     -0.8870000       3.383800    
 H   0.6525000      -1.520800     -0.9401000    
 H    3.205300     -0.3212000       2.371200    
 H   -3.127800      -2.008600     -0.4103000    
 H  -0.9088000       2.633200      0.4647000    
 H   -3.147300       2.972900      0.8286000    
 H    1.411300       2.251600      -2.292900    
 H    2.201300      -4.562500      -1.840100    
 H    1.251300      -3.347400      -2.734400    
 H    2.513900      -2.832700      -1.580700    
 H    4.978400       1.988000       2.346200    
 H    5.037300       2.892000      0.7974000    
 H    6.405700       1.871800       1.293100    
 H    3.044900      0.6789000      -3.125100    
 H    4.604200      0.3937000      -2.288400    
 H    4.403200       1.801500      -3.353500    
 H   -6.882000       1.868900       1.023800    
 H   -5.376400       1.800900       1.951200    
 H   -5.980000      0.3476000       1.086900    


%chk=000018702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018702

0 1
O 0.849578 1.786611 -1.652186
O 4.946683 0.869035 0.847268
O 3.516858 2.000982 -1.497466
O -5.157822 1.992894 0.135222
O -5.170467 -0.858898 0.002121
O -0.495528 -4.389727 -0.952673
N 0.343268 -2.289736 -0.381036
C -0.620492 -2.080446 0.720198
C 0.047955 -2.125567 2.130236
C 0.597408 -0.762756 2.631888
C -1.479033 -0.812047 0.505708
C 1.391003 -0.025727 1.568885
C 0.690590 0.544436 0.456100
C -0.807176 0.467983 0.356561
C 2.793236 0.103316 1.681441
C 1.461928 1.224530 -0.527088
C -2.853393 -1.052516 0.450554
C -1.467850 1.689730 0.142672
C 3.544957 0.786791 0.700907
C 2.876475 1.315657 -0.427093
C -4.052551 -0.249142 0.208293
C 0.320355 -3.439437 -1.158993
C -2.845331 2.025550 0.093367
C -3.998631 1.236237 0.185346
C 1.350418 -3.484791 -2.285019
C 5.480779 2.249805 0.947269
C 4.482783 1.171035 -2.267537
C -6.486290 1.482098 0.558669
H -1.279523 -2.963409 0.649334
H 0.857969 -2.877281 2.086921
H -0.699471 -2.491422 2.860310
H -0.257688 -0.134573 2.948572
H 1.221920 -0.932992 3.527176
H 1.019004 -1.553121 -0.587949
H 3.323474 -0.310708 2.544434
H -3.150724 -2.108156 0.530933
H -0.806320 2.556511 0.031371
H -3.064608 3.095749 -0.014644
H 1.573677 2.208273 -2.196198
H 1.966586 -4.393401 -2.174095
H 0.820759 -3.563878 -3.250276
H 2.012442 -2.601378 -2.311532
H 5.101924 2.734252 1.866389
H 5.199612 2.851330 0.063966
H 6.573490 2.135397 1.005662
H 3.957513 0.328372 -2.755001
H 5.271625 0.785364 -1.599433
H 4.909638 1.844306 -3.025794
H -7.125049 2.378200 0.522713
H -6.436499 1.083933 1.586854
H -6.834461 0.691532 -0.118828


