%chk=000003222.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003222

0 1
 O   -2.580200       1.878900     -0.7950000    
 O   -6.271700      0.7845000      -1.083900    
 O   -5.400500      0.6064000       1.022200    
 O    3.417300       2.633400      0.3286000    
 O    1.926800       3.006400      -1.389800    
 N   -3.065700     -0.2386000      3.3000000E-03
 N  -2.4599999E-02   1.659600     -0.1042000    
 C   -4.264500     -0.4478000     -0.7979000    
 C   -4.541400      -1.943300     -0.6974000    
 C   -3.970000      -2.319200      0.6676000    
 C   -2.745100      -1.425600      0.7917000    
 C   -2.276400      0.8944000     -0.1193000    
 C  -0.9814000      0.8706000      0.6529000    
 C   -5.359800      0.3642000     -0.1746000    
 C    1.273100       1.689300      0.5596000    
 C    1.850800      0.2765000      0.7417000    
 C   -1.192900       1.451100       2.036700    
 C    2.106200     -0.5001000     -0.5579000    
 C    2.210400       2.516800     -0.3042000    
 C    2.729800      -1.856000     -0.3432000    
 C    4.111400      -1.974900     -0.3244000    
 C    1.911800      -2.962000     -0.1674000    
 C    4.407300       3.398900     -0.3655000    
 C    4.688500      -3.229100     -0.1255000    
 C    2.489000      -4.216200      3.1599998E-02
 C    3.877300      -4.349700      5.2600000E-02
 C    5.674700       3.431800      0.4616000    
 H   -4.088000     -0.1071000      -1.823500    
 H   -5.600600      -2.202200     -0.7881000    
 H   -3.988000      -2.476200      -1.480300    
 H   -3.724700      -3.381800      0.7478000    
 H   -4.694000      -2.078700       1.455100    
 H   -1.874100      -1.911800      0.3385000    
 H   -2.518400      -1.168300       1.829100    
 H  -0.6474000     -0.1639000      0.7166000    
 H    1.213700       2.212500       1.521000    
 H  -0.3686000       2.615300     -0.2041000    
 H    2.814800      0.3700000       1.262900    
 H    1.249000     -0.3249000       1.432500    
 H   -2.089700       1.034900       2.509300    
 H  -0.3561000       1.238900       2.709700    
 H   -1.342500       2.537300       2.005200    
 H    1.166300     -0.6289000      -1.109800    
 H    2.756000      7.7900000E-02  -1.227100    
 H   -6.984900       1.315400     -0.6694000    
 H    4.751500      -1.107600     -0.4595000    
 H   0.8296000      -2.867400     -0.1793000    
 H    4.038700       4.419200     -0.5192000    
 H    4.611500       2.935200      -1.337100    
 H    5.769500      -3.333100     -0.1084000    
 H    1.857400      -5.088700      0.1711000    
 H    4.326600      -5.326200      0.2080000    
 H    6.044900       2.416500      0.6392000    
 H    5.482400       3.876100       1.443800    
 H    6.455100       4.009600     -4.1099999E-02


%chk=000003222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003222

0 1
O -2.483426 1.583878 -1.017098
O -6.286850 0.888791 -1.340283
O -5.457014 1.097481 0.821544
O 3.463651 2.647537 0.346699
O 1.725703 3.209158 -1.097363
N -3.127211 -0.383356 0.011663
N 0.073798 1.295493 -0.003096
C -4.359064 -0.446234 -0.798952
C -4.876580 -1.892551 -0.546541
C -4.411543 -2.185396 0.902842
C -3.024477 -1.501906 0.988539
C -2.258710 0.677043 -0.152097
C -1.038644 0.755978 0.784659
C -5.376979 0.597513 -0.319650
C 1.374202 1.471284 0.638457
C 2.162461 0.130251 0.772919
C -1.454485 1.612791 2.027000
C 2.482313 -0.523364 -0.596224
C 2.167618 2.520574 -0.149329
C 3.055917 -1.922521 -0.440869
C 4.438758 -2.119995 -0.186554
C 2.216444 -3.065209 -0.508839
C 4.320567 3.680471 -0.317596
C 4.967665 -3.417374 -0.003708
C 2.739355 -4.365842 -0.325789
C 4.118629 -4.546908 -0.070955
C 5.672445 3.648598 0.386827
H -4.145274 -0.241535 -1.860021
H -5.966524 -1.978687 -0.683536
H -4.384499 -2.575370 -1.262188
H -4.355626 -3.264031 1.123694
H -5.103297 -1.717154 1.624572
H -2.212503 -2.197446 0.696446
H -2.813734 -1.127859 2.005385
H -0.771363 -0.260553 1.134815
H 1.295834 1.891556 1.672981
H -0.200651 2.032929 -0.665625
H 3.093358 0.316825 1.338751
H 1.549188 -0.568161 1.375782
H -2.313394 1.163809 2.559465
H -0.618034 1.698966 2.743908
H -1.747364 2.624618 1.696729
H 1.546966 -0.543217 -1.186182
H 3.200143 0.122869 -1.138946
H -6.945479 1.561440 -1.016666
H 5.104066 -1.248392 -0.138013
H 1.147563 -2.930404 -0.718924
H 3.815042 4.658770 -0.225549
H 4.392983 3.431392 -1.391661
H 6.039202 -3.549359 0.186598
H 2.075886 -5.236406 -0.388960
H 4.527552 -5.554260 0.067253
H 6.145016 2.655900 0.291547
H 5.563991 3.880981 1.459980
H 6.346611 4.398893 -0.065044


