%chk=000005640.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005640

0 1
 O    5.414300      -1.887100      -1.180200    
 O   -6.323100      -2.592500      0.8360000    
 O   -6.944800       1.252600      -1.667100    
 N    1.311000      0.4161000      0.6014000    
 N    4.133600      0.2058000      0.2162000    
 N   -2.965100      0.7509000      0.8508000    
 N   -4.677200     -0.9550000      0.8409000    
 N   -6.681600     -0.6773000     -0.4038000    
 C    2.042800       1.464300     -0.1201000    
 C    1.930100     -0.8906000      0.3468000    
 C    3.504400       1.525000      0.3309000    
 C    3.387100     -0.9082000      0.8145000    
 C  -9.5500000E-02  0.4040000      0.2010000    
 C  -0.7565000       1.738900      0.5501000    
 C    5.527800      0.1049000      0.1540000    
 C   -2.235000       1.775400      0.1695000    
 C    6.163500     -0.9423000     -0.5448000    
 C    6.342500       1.059500      0.7962000    
 C   -4.197600      0.2984000      0.4218000    
 C    7.554600      -1.030700     -0.5985000    
 C   -4.955000       1.053600     -0.4088000    
 C    7.733500      0.9712000      0.7424000    
 C    8.339500     -7.4000001E-02  4.5200001E-02
 C   -5.918900      -1.488000      0.4555000    
 C   -6.283500      0.5643000     -0.8893000    
 C   -3.830700      -1.754200       1.734100    
 C   -4.592400       2.420300     -0.9389000    
 C   -7.990300      -1.176400     -0.8181000    
 C    5.062500      -1.629000      -2.537700    
 H    1.648600       2.463700      7.8299999E-02
 H    1.997700       1.296600      -1.204700    
 H    1.885000      -1.141100     -0.7218000    
 H    1.388100      -1.674500      0.8897000    
 H    4.024900       2.257400     -0.2989000    
 H    3.555600       1.873300       1.370600    
 H    3.426300     -0.8120000       1.907800    
 H    3.811800      -1.887400      0.5750000    
 H  -0.2017000      0.2022000     -0.8729000    
 H  -0.6052000     -0.4065000      0.7345000    
 H  -0.2997000       2.577700      1.7300000E-02
 H  -0.6489000       1.934200       1.625200    
 H   -2.244600       1.633500     -0.9143000    
 H   -2.567000       2.772000      0.4654000    
 H   -2.529000      0.2692000       1.627200    
 H    5.908800       1.880900       1.361200    
 H    8.033900      -1.842500      -1.138900    
 H    8.345200       1.714000       1.246000    
 H    9.422600     -0.1434000      4.4000000E-03
 H   -4.276100      -2.729200       1.949800    
 H   -3.706900      -1.224100       2.683800    
 H   -2.859500      -1.928200       1.259700    
 H   -3.859200       2.387900      -1.746900    
 H   -4.346000       3.123500     -0.1417000    
 H   -5.457300       2.914700      -1.398300    
 H   -8.559400      -1.466700      7.0900001E-02
 H   -8.562800     -0.4389000      -1.385400    
 H   -7.838800      -2.068700      -1.434100    
 H    5.960700      -1.556000      -3.159100    
 H    4.454800      -2.463500      -2.898100    
 H    4.474500     -0.7092000      -2.617600    


%chk=000005640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005640

0 1
O 5.034460 -2.215885 -1.329540
O -5.080148 -2.808963 1.156895
O -6.831468 0.302827 -1.869246
N 1.117770 0.812323 0.219463
N 3.931949 0.125171 0.012934
N -3.071225 1.455101 1.008437
N -4.113345 -0.669513 1.058648
N -5.920039 -1.266895 -0.383177
C 2.139916 1.831193 -0.124936
C 1.549184 -0.518585 -0.281157
C 3.510050 1.463970 0.472130
C 2.905911 -0.911453 0.319815
C -0.241101 1.167722 -0.253586
C -0.829788 2.398403 0.468295
C 5.300747 -0.237531 0.171347
C -2.359860 2.524072 0.278357
C 5.838020 -1.393389 -0.489757
C 6.202711 0.534082 0.959673
C -4.081753 0.638112 0.510306
C 7.179507 -1.778754 -0.307987
C -5.017861 1.023792 -0.452350
C 7.555832 0.161371 1.112904
C 8.050490 -1.008431 0.495933
C -5.055204 -1.650971 0.641263
C -5.965042 0.048557 -0.971932
C -3.140601 -1.099247 2.083579
C -5.208153 2.447023 -0.939102
C -6.881382 -2.288305 -0.853230
C 4.660568 -1.578611 -2.611581
H 1.832722 2.810310 0.283852
H 2.245045 1.938199 -1.235821
H 1.627692 -0.528422 -1.398570
H 0.792467 -1.269875 0.012827
H 4.253132 2.210981 0.140204
H 3.438619 1.511379 1.584786
H 2.794906 -1.016800 1.423104
H 3.240041 -1.875187 -0.094942
H -0.265651 1.345451 -1.361096
H -0.896001 0.296093 -0.058602
H -0.367210 3.332731 0.097097
H -0.584031 2.328977 1.547957
H -2.612739 2.440301 -0.791334
H -2.690537 3.525358 0.618621
H -2.674611 1.217604 1.917922
H 5.837455 1.421014 1.486158
H 7.524609 -2.680507 -0.824810
H 8.215982 0.778624 1.732675
H 9.094367 -1.311812 0.626174
H -3.334811 -2.164637 2.277658
H -3.277790 -0.548277 3.033907
H -2.103337 -0.974502 1.724248
H -4.634041 2.676754 -1.857531
H -4.937290 3.183348 -0.163689
H -6.270887 2.581425 -1.201902
H -7.515934 -2.625663 -0.017075
H -7.491884 -1.816075 -1.636378
H -6.341544 -3.162629 -1.252929
H 5.567421 -1.371899 -3.211499
H 4.025885 -2.311796 -3.133211
H 4.104208 -0.638854 -2.436099


