%chk=000087342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087342

0 1
 O    3.393100     -0.4829000      0.6809000    
 O  -0.1739000      -3.489700     -7.9099998E-02
 O  -0.7519000       2.482700      0.3958000    
 O   -2.550500      -2.499700     -0.3044000    
 O    5.084100       1.314100     -0.6432000    
 N    1.710400       1.698500      0.6582000    
 C  -0.1964000      0.1814000      0.2584000    
 C  -0.6701000      -1.119200      7.3899999E-02
 C   -2.567600       1.078400      2.2800000E-02
 C   -3.041300     -0.2222000     -0.1614000    
 C    1.170500      0.4043000      0.4635000    
 C   -1.127700       1.327800      0.2394000    
 C   -2.109900      -1.368700     -0.1421000    
 C   0.2233000      -2.197100      9.3999997E-02
 C    2.057200     -0.6728000      0.4832000    
 C    1.584700      -1.970600      0.2989000    
 C   -3.460900       2.156300      2.9000000E-03
 C   -4.408300     -0.4451000     -0.3658000    
 C   -4.822400       1.929700     -0.2005000    
 C   -5.295100      0.6318000     -0.3848000    
 C    4.268600     -0.9183000     -0.3565000    
 C    5.492400     -2.2800000E-02 -0.3796000    
 C    6.191700       2.203900     -0.6545000    
 H    2.278100      -2.807900      0.3245000    
 H   -3.120200       3.178500      0.1436000    
 H   -4.803500      -1.446700     -0.5119000    
 H   -5.515100       2.766300     -0.2157000    
 H   -6.355500      0.4582000     -0.5433000    
 H    2.707300       1.806700      0.7942000    
 H    1.119000       2.516800      0.6488000    
 H    4.565300      -1.954800     -0.1643000    
 H    3.763500     -0.8622000      -1.329400    
 H    6.188500     -0.3596000      -1.155700    
 H    5.992300     -5.5000000E-02  0.5954000    
 H   0.5985000      -4.078400     -3.0900000E-02
 H    6.688100       2.211300      0.3207000    
 H    5.821800       3.211000     -0.8647000    
 H    6.902300       1.922500      -1.437600    


%chk=000087342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087342

0 1
O 3.539472 -1.013939 0.287014
O -0.456507 -3.721907 0.630901
O -0.379942 2.361309 -0.278181
O -2.810183 -2.572045 0.328844
O 4.854806 1.564040 -0.305008
N 1.979278 1.319093 -0.041339
C -0.092184 -0.025961 0.046788
C -0.722805 -1.322037 0.222629
C -2.387380 1.058201 -0.164614
C -3.011236 -0.207967 -0.007329
C 1.347339 0.110209 0.069313
C -0.907484 1.185588 -0.137234
C -2.207717 -1.456924 0.194140
C 0.105822 -2.458383 0.428830
C 2.131973 -1.092889 0.224756
C 1.524291 -2.327739 0.415239
C -3.182327 2.218907 -0.351627
C -4.425565 -0.301563 -0.039151
C -4.585415 2.118136 -0.382245
C -5.209819 0.852356 -0.225455
C 4.253706 -0.673171 -0.975274
C 5.413358 0.244153 -0.617250
C 5.833604 2.484180 0.276895
H 2.169389 -3.204028 0.556071
H -2.670495 3.178729 -0.469300
H -4.875291 -1.291507 0.085892
H -5.196860 3.015534 -0.526939
H -6.302365 0.775017 -0.249194
H 3.005913 1.404641 0.017680
H 1.350140 2.131084 -0.168771
H 4.632984 -1.614231 -1.417436
H 3.571487 -0.180784 -1.692816
H 6.119260 0.320761 -1.472577
H 5.953653 -0.164883 0.262467
H 0.262574 -4.390159 0.777389
H 6.242481 2.083784 1.226883
H 5.296108 3.424347 0.473486
H 6.666338 2.676551 -0.429778


