%chk=000003689.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003689

0 1
 O    2.628300     -0.7560000       1.937200    
 O    7.810300      0.4713000      -1.252700    
 N   0.2075000     -0.4621000      0.3817000    
 C   -2.608000      0.3241000      0.6050000    
 C   -2.176200      -1.042300      6.1999999E-02
 C   -1.523100      0.8780000       1.534700    
 C  -0.7852000     -0.9752000     -0.5719000    
 C  -0.1539000      0.8820000      0.8517000    
 C    1.539800     -0.4524000     -0.2221000    
 C   -3.950900      0.2294000       1.324000    
 C    2.565600      0.1000000      0.7931000    
 C    1.865800      -1.878500     -0.6697000    
 C   -5.099000      0.1915000      0.3528000    
 C    3.972800      0.1996000      0.2445000    
 C   -5.688700       1.380100     -5.6600001E-02
 C   -5.554200      -1.031300     -0.1222000    
 C    4.394900       1.391000     -0.3182000    
 C    4.805400     -0.9033000      0.3180000    
 C   -6.753300       1.345300     -0.9573000    
 C   -6.618700      -1.066100      -1.022900    
 C    5.691600       1.482700     -0.8241000    
 C    6.102100     -0.8117000     -0.1878000    
 C   -7.218200      0.1223000      -1.440400    
 C    6.545300      0.3814000     -0.7588000    
 H   -2.694300       1.018300     -0.2434000    
 H   -2.877800      -1.397000     -0.6999000    
 H   -2.172900      -1.786800      0.8691000    
 H   -1.473400      0.2752000       2.451400    
 H   -1.778600       1.900300       1.839600    
 H  -0.5797000      -2.005400     -0.8741000    
 H  -0.8197000     -0.3583000      -1.479500    
 H  -0.1495000       1.606600      2.7100001E-02
 H   0.5139000       1.253400       1.630900    
 H    1.552600      0.1936000      -1.111600    
 H   -4.087800       1.096900       1.983700    
 H   -3.986200     -0.6441000       1.988100    
 H    2.334700       1.103900       1.155900    
 H    2.893000      -1.966300      -1.030700    
 H    1.733200      -2.609300      0.1360000    
 H    1.273800      -2.196700      -1.533700    
 H    1.729300     -0.8198000       2.302000    
 H   -5.332900       2.338400      0.3113000    
 H   -5.102600      -1.964500      0.2021000    
 H    3.736800       2.252900     -0.3771000    
 H    4.489400      -1.844400      0.7580000    
 H   -7.219700       2.270500      -1.282900    
 H   -6.982200      -2.018400      -1.397600    
 H    6.024400       2.417500      -1.267300    
 H    6.762700      -1.672700     -0.1341000    
 H   -8.047200      9.5100001E-02  -2.141500    
 H    7.946700       1.366000      -1.609100    


%chk=000003689-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003689

0 1
O 2.082748 -1.063515 1.488659
O 8.116051 -0.546929 -0.645169
N 0.209701 0.155976 0.038905
C -2.674610 0.648908 0.578743
C -2.153820 -0.635457 -0.105397
C -1.549342 1.238952 1.461257
C -0.837369 -0.386816 -0.870575
C -0.249069 1.433689 0.658720
C 1.610637 0.273072 -0.509658
C -3.967902 0.405390 1.410838
C 2.560492 0.098467 0.748404
C 1.930930 -0.766308 -1.597213
C -5.165741 -0.019185 0.572713
C 4.029203 -0.060219 0.395170
C -5.864691 0.932643 -0.216558
C -5.600678 -1.369073 0.537235
C 4.777639 1.058808 -0.044144
C 4.676326 -1.317174 0.490280
C -6.961605 0.548049 -1.019117
C -6.698684 -1.760365 -0.263444
C 6.137436 0.929180 -0.403642
C 6.033942 -1.461620 0.140529
C -7.383033 -0.802441 -1.046242
C 6.762929 -0.337975 -0.311203
H -2.914234 1.389494 -0.216292
H -2.910340 -1.033785 -0.807418
H -1.975304 -1.411981 0.666593
H -1.351204 0.555502 2.311158
H -1.864214 2.212837 1.886196
H -0.482933 -1.337861 -1.298611
H -1.032576 0.314212 -1.721207
H -0.413527 2.207295 -0.133776
H 0.546724 1.812733 1.323891
H 1.775692 1.291368 -0.935397
H -4.206096 1.342812 1.953760
H -3.750803 -0.362922 2.179511
H 2.454859 1.012659 1.376795
H 2.970024 -0.624512 -1.937721
H 1.846386 -1.795772 -1.204722
H 1.273985 -0.660345 -2.477487
H 1.083168 -1.014187 1.327223
H -5.550991 1.984456 -0.193699
H -5.076957 -2.117318 1.145411
H 4.304185 2.047328 -0.102174
H 4.099262 -2.169841 0.859182
H -7.491417 1.298751 -1.616955
H -7.020735 -2.808041 -0.273954
H 6.705344 1.806346 -0.741854
H 6.543630 -2.426892 0.217086
H -8.236309 -1.102256 -1.665079
H 8.538891 0.298561 -0.936853


