%chk=000002389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002389

0 1
 O   -3.306800      -2.770800      -1.243300    
 O    3.309700      -2.777900       1.232700    
 O   -8.637900       2.344000      -1.557200    
 O    8.641600       2.335300       1.561600    
 O   -9.633100       2.225700       1.034600    
 O    9.629500       2.232200      -1.033600    
 N   -1.638400      -1.241600     -0.7748000    
 N    1.640100      -1.246000      0.7777000    
 N   -3.238900       1.700600      0.4520000    
 N    3.237000       1.703300     -0.4363000    
 C  -1.9999999E-04  -2.915300     -1.1000000E-03
 C  -0.5351000      -2.078000      -1.161000    
 C   0.5379000      -2.084800       1.162100    
 C   -2.963700      -1.658300     -0.8464000    
 C    2.965600      -1.663200      0.8432000    
 C   -3.972000     -0.6347000     -0.3896000    
 C    3.972600     -0.6367000      0.3896000    
 C   -6.410900     -0.1468000     -7.3899999E-02
 C    6.410600     -0.1470000      7.0100002E-02
 C   -5.269600     -0.9899000     -0.4627000    
 C    5.270500     -0.9923000      0.4570000    
 C   -6.994500      0.7105000      -1.006700    
 C    6.996700      0.7050000       1.006300    
 C   -6.909600     -0.2050000       1.227400    
 C    6.905800     -0.1976000      -1.233000    
 C   -8.076900       1.509600     -0.6383000    
 C    8.078100       1.506200      0.6395000    
 C   -7.991900      0.5942000       1.596000    
 C    7.987000      0.6038000      -1.599800    
 C   -8.575600       1.451400      0.6631000    
 C    8.573200       1.455600     -0.6636000    
 C   -3.569800      0.6539000      7.5199999E-02
 C    3.569100      0.6545000     -6.6500001E-02
 H  -0.7973000      -3.567600      0.3758000    
 H   0.7951000      -3.568300     -0.3810000    
 H   0.2450000      -1.425800      -1.567300    
 H  -0.8583000      -2.743800      -1.969000    
 H  -0.2412000      -1.434800       1.573500    
 H   0.8629000      -2.755000       1.965600    
 H   -1.409600     -0.3136000     -0.4340000    
 H    1.410400     -0.3161000      0.4431000    
 H   -5.568300      -1.971100     -0.8249000    
 H    5.570000      -1.975600      0.8127000    
 H   -6.606700      0.7565000      -2.022200    
 H    6.611700      0.7451000       2.023100    
 H   -6.465500     -0.8687000       1.965400    
 H    6.459600     -0.8570000      -1.973600    
 H   -8.370500      0.5387000       2.613100    
 H    8.362800      0.5542000      -2.618300    
 H   -8.163500       2.251400      -2.401200    
 H    8.169600       2.237800       2.406400    
 H   -9.839500       2.052400       1.969200    
 H    9.833500       2.064300      -1.969700    


%chk=000002389-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002389

0 1
O -3.211937 -2.606956 -0.861671
O 3.211779 -2.609803 0.852299
O -8.271219 3.040545 0.887148
O 8.271276 3.043706 -0.876345
O -10.423796 1.433574 0.954040
O 10.424534 1.437710 -0.944138
N -1.700886 -0.838688 -0.820826
N 1.700316 -0.841806 0.814847
N -3.352651 2.120424 0.000490
N 3.352799 2.120066 0.002426
C -0.000231 -2.522712 -0.006231
C -0.547589 -1.685990 -1.184633
C 0.546917 -1.690380 1.175358
C -2.969083 -1.370016 -0.693461
C 2.968655 -1.372580 0.686587
C -4.072190 -0.385876 -0.343676
C 4.071920 -0.387148 0.340951
C -6.624168 -0.250940 0.075469
C 6.624362 -0.250310 -0.074708
C -5.355371 -0.891172 -0.233374
C 5.355391 -0.891757 0.230880
C -6.791034 1.144710 0.337010
C 6.791055 1.146027 -0.332677
C -7.781717 -1.083347 0.115976
C 7.782270 -1.082195 -0.115690
C -8.053451 1.686227 0.625673
C 8.053656 1.688695 -0.618360
C -9.048430 -0.547549 0.405266
C 9.049178 -0.545233 -0.401957
C -9.201863 0.834782 0.662249
C 9.202435 0.837766 -0.655422
C -3.714939 0.985109 -0.151392
C 3.714490 0.984244 0.151927
H -0.807542 -3.179722 0.366475
H 0.807237 -3.178087 -0.381472
H 0.241734 -1.028427 -1.591575
H -0.869940 -2.375301 -1.985633
H -0.242486 -1.034289 1.584522
H 0.869117 -2.382593 1.973895
H -1.568520 0.168956 -0.707164
H 1.567843 0.166128 0.703941
H -5.394652 -1.976037 -0.418471
H 5.394778 -1.977107 0.413081
H -5.925863 1.815523 0.313742
H 5.925605 1.816466 -0.308969
H -7.678190 -2.155506 -0.081958
H 7.678865 -2.154872 0.079486
H -9.928595 -1.202148 0.432761
H 9.929623 -1.199439 -0.429837
H -7.421603 3.547220 0.839625
H 7.421415 3.549968 -0.828771
H -11.154011 0.764312 0.955717
H 11.155003 0.768727 -0.946426


