%chk=000037309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037309

0 1
 O   -1.024300     -0.8115000       1.471300    
 N   0.7301000      -2.510300      0.1884000    
 N   -2.336400     -0.7532000     -0.4747000    
 C    3.689200     -0.1956000     -0.4338000    
 C    2.812000      -1.219600      0.2913000    
 C    4.955800      0.1794000      0.3411000    
 C    1.548700      -1.527700     -0.5122000    
 C    5.868800       1.146300     -0.4160000    
 C    7.109300       1.495500      0.4075000    
 C  -0.6593000      -2.443400     -0.2679000    
 C    1.264200      -3.859300     -6.8999999E-03
 C    8.005200       2.481200     -0.3257000    
 C   -1.343300      -1.246100      0.3693000    
 C   -3.195500      0.3480000     -0.2463000    
 C   -4.577700      0.1612000     -0.2219000    
 C   -2.660300       1.620500     -4.6200000E-02
 C   -5.424500       1.246600      2.2000000E-03
 C   -3.507200       2.706000      0.1781000    
 C   -5.181300      -1.189700     -0.4335000    
 C   -1.184000       1.852800     -6.6399999E-02
 C   -4.889300       2.518900      0.2023000    
 H    3.106700      0.7145000     -0.6237000    
 H    3.975200     -0.5985000      -1.413400    
 H    2.537200     -0.8281000       1.279000    
 H    3.408200      -2.123100      0.4579000    
 H    4.667300      0.6262000       1.300700    
 H    5.516400     -0.7346000      0.5737000    
 H    1.802000      -1.862300      -1.526900    
 H    1.007200     -0.5809000     -0.6294000    
 H    6.172200      0.6956000      -1.368600    
 H    5.313300       2.061700     -0.6534000    
 H    7.678700      0.5850000      0.6274000    
 H    6.808900       1.930500       1.367800    
 H  -0.7247000      -2.415300      -1.362700    
 H   -1.225900      -3.318400      7.6499999E-02
 H   0.6566000      -4.591500      0.5378000    
 H    1.277000      -4.150000      -1.063900    
 H    2.277900      -3.959800      0.3919000    
 H    8.348800       2.065300      -1.278200    
 H    8.885900       2.716000      0.2801000    
 H    7.474400       3.416500     -0.5305000    
 H   -2.699700      -1.432300      -1.140500    
 H   -6.503600       1.119200      2.3399999E-02
 H   -3.105500       3.703200      0.3381000    
 H   -5.011700      -1.526600      -1.461400    
 H   -4.754500      -1.918600      0.2636000    
 H   -6.263700      -1.182100     -0.2639000    
 H  -0.7437000       1.644000      0.9123000    
 H  -0.6853000       1.256900     -0.8368000    
 H  -0.9600000       2.898400     -0.3090000    
 H   -5.548600       3.364100      0.3773000    


%chk=000037309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037309

0 1
O -1.421077 -0.867100 1.815744
N 0.670807 -2.639647 0.548367
N -2.197519 -0.723699 -0.392564
C 3.547289 -0.170713 -0.318262
C 2.864388 -1.392814 0.337353
C 4.999236 0.042669 0.166047
C 1.435527 -1.612927 -0.198511
C 5.686588 1.266255 -0.480721
C 7.141873 1.473827 -0.001917
C -0.761164 -2.630786 0.214620
C 1.246085 -3.995914 0.477224
C 7.822608 2.696929 -0.653536
C -1.467723 -1.321753 0.640642
C -3.064772 0.420898 -0.279012
C -4.419681 0.266822 -0.701909
C -2.569928 1.670832 0.194298
C -5.285679 1.381793 -0.625302
C -3.478309 2.757146 0.270632
C -4.928607 -1.071574 -1.209572
C -1.118237 1.868871 0.576452
C -4.823012 2.620947 -0.131099
H 2.952620 0.741675 -0.102542
H 3.545093 -0.291266 -1.422461
H 2.805032 -1.250749 1.433794
H 3.491092 -2.289145 0.158107
H 5.003159 0.160313 1.269723
H 5.595204 -0.868708 -0.051241
H 1.483048 -1.855578 -1.295513
H 0.884676 -0.657293 -0.104902
H 5.678484 1.151211 -1.585192
H 5.095624 2.179816 -0.259734
H 7.730722 0.559797 -0.221927
H 7.148919 1.589147 1.101278
H -0.948164 -2.823722 -0.879675
H -1.250834 -3.450519 0.774689
H 0.647868 -4.681945 1.102975
H 1.279986 -4.412205 -0.563255
H 2.273973 -3.992306 0.874890
H 7.854100 2.592754 -1.754738
H 8.861327 2.822373 -0.296012
H 7.270617 3.627442 -0.421474
H -2.230918 -1.239891 -1.276051
H -6.329296 1.271301 -0.942096
H -3.113169 3.723314 0.637934
H -4.474416 -1.353170 -2.181625
H -4.703269 -1.885901 -0.495949
H -6.020513 -1.041885 -1.360940
H -0.899251 1.376692 1.541388
H -0.441813 1.415001 -0.172675
H -0.876480 2.942333 0.656562
H -5.504912 3.476050 -0.067113


