%chk=000051757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051757

0 1
 I    2.909400      -2.921100       1.855600    
 O   -5.247500      0.9198000      -1.083100    
 O   -4.059900       1.816900       1.260300    
 O    3.188900       2.646200     -0.9567000    
 O    5.401700      0.9655000     -0.9078000    
 N   9.5100001E-02  -2.418000      6.0400002E-02
 C   -2.243200      -1.164700     -0.9959000    
 C   -1.638700     -0.6945000      0.1767000    
 C   -1.538900      -2.219500      -1.796400    
 C  -0.3336000      -1.299900      0.5460000    
 C  -0.7887000      -3.150400     -0.8528000    
 C   0.5499000     -0.5769000       1.533700    
 C   -3.452400     -0.6070000      -1.420300    
 C   -2.248000      0.3071000      0.9351000    
 C    1.852300     -0.2047000      0.8986000    
 C   -4.062800      0.3934000     -0.6637000    
 C   -3.463400      0.8465000      0.5118000    
 C    1.931800       1.035400      0.2662000    
 C    2.962200      -1.048400      0.9239000    
 C    3.122800       1.432500     -0.3417000    
 C    4.153100     -0.6515000      0.3159000    
 C    4.233400      0.5890000     -0.3170000    
 C   -6.438100      0.2849000     -0.6215000    
 C   -3.384300       2.225600       2.447800    
 C    2.009400       3.447900     -0.9371000    
 C    6.489300      4.5600001E-02 -0.8378000    
 H   -2.252700      -2.802000      -2.389400    
 H  -0.8415000      -1.730500      -2.487100    
 H   -1.487100      -3.756700     -0.2623000    
 H  -0.1820000      -3.846200      -1.442500    
 H   0.6663000      -1.200600       2.425000    
 H   0.1138000      0.3415000       1.927300    
 H   -3.919800     -0.9526000      -2.339000    
 H   -1.791200      0.6115000       1.863900    
 H    1.037800       1.650100      0.2724000    
 H    4.989200      -1.341200      0.3610000    
 H   -6.495100      0.3195000      0.4711000    
 H   -6.477800     -0.7529000     -0.9673000    
 H   -7.295700      0.8237000      -1.033500    
 H   -3.318900       1.410600       3.176700    
 H   -3.992800       3.011300       2.908200    
 H   -2.408700       2.672200       2.227000    
 H    1.186500       2.969300      -1.479100    
 H    2.242200       4.375900      -1.469800    
 H    1.729500       3.730200      8.3600000E-02
 H    7.335100      0.5078000      -1.357800    
 H    6.264600     -0.8872000      -1.366200    
 H    6.808600     -0.1250000      0.1961000    


%chk=000051757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051757

0 1
I 1.893677 -1.516644 2.902780
O -6.204512 -0.188546 -0.136599
O -4.717418 0.928444 2.077902
O 4.557190 1.762048 -1.873074
O 6.078232 0.328208 -0.234456
N 0.158494 -1.127579 -1.165719
C -2.742032 -0.809662 -1.267946
C -1.958341 -0.280997 -0.202219
C -2.011502 -1.375640 -2.474669
C -0.469710 -0.347834 -0.316871
C -0.673524 -2.010148 -2.033839
C 0.361975 0.564567 0.598504
C -4.146476 -0.768742 -1.176186
C -2.613292 0.293300 0.918401
C 1.862903 0.435028 0.438516
C -4.806118 -0.215382 -0.055336
C -4.020562 0.336669 1.006084
C 2.497942 1.144835 -0.620805
C 2.697406 -0.330506 1.271548
C 3.884665 1.093069 -0.845645
C 4.100455 -0.399007 1.084424
C 4.706060 0.314388 0.030031
C -7.019908 -0.441004 1.069236
C -3.919481 1.542569 3.143440
C 3.734266 2.522006 -2.818580
C 6.930337 -0.476392 0.646988
H -2.634947 -2.119229 -3.003852
H -1.803708 -0.555650 -3.195074
H -0.867493 -2.945576 -1.466501
H -0.062445 -2.284505 -2.911626
H 0.084946 0.348389 1.647333
H 0.051142 1.611427 0.407702
H -4.774354 -1.173417 -1.976750
H -2.015761 0.720770 1.727687
H 1.858427 1.729963 -1.289586
H 4.709043 -0.999175 1.764217
H -6.903281 0.368012 1.806422
H -6.741112 -1.409208 1.525829
H -8.055362 -0.485410 0.697257
H -3.271930 0.796329 3.643276
H -4.655492 1.934715 3.860969
H -3.300822 2.372838 2.752138
H 3.004671 1.866892 -3.332472
H 4.448000 2.931079 -3.548530
H 3.199967 3.349916 -2.312220
H 7.951723 -0.329744 0.266690
H 6.659937 -1.548881 0.593214
H 6.868228 -0.128183 1.696467


