%chk=000037434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037434

0 1
 O   0.5113000      0.8077000      -1.992800    
 O   0.9511000      -3.342300     -0.3855000    
 N  -8.6800002E-02 -0.6832000     -0.2921000    
 N    6.065700      0.8299000      0.9708000    
 C   -2.336400       1.058200      0.7469000    
 C   -4.489600      0.8544000      0.2075000    
 C   -2.438700     -0.4203000      0.2986000    
 C   -3.911600     -0.5318000     -0.1754000    
 C   -3.684100       1.234500       1.452300    
 C   -2.491000       2.032200     -0.4338000    
 C   -3.972300       1.888000     -0.8108000    
 C   -1.432000     -0.8517000     -0.7575000    
 C   -4.648500      -1.679100      0.5098000    
 C   0.2887000      -1.437000      0.9144000    
 C   0.8005000      0.1680000     -0.9821000    
 C   0.1382000      -2.933000      0.7067000    
 C    2.170400      0.3393000     -0.4730000    
 C    3.171400     -0.5127000     -0.9135000    
 C    2.436300       1.350600      0.4375000    
 C    4.470200     -0.3495000     -0.4316000    
 C    3.735200       1.513800      0.9191000    
 C    4.752100      0.6637000      0.4846000    
 H   -1.466400       1.268800       1.373000    
 H   -5.575200      0.8722000      0.3262000    
 H   -2.326400      -1.052300       1.188700    
 H   -3.977200     -0.6882000      -1.259300    
 H   -3.865500       2.262100       1.785700    
 H   -3.827000      0.5513000       2.295200    
 H   -1.829700       1.828800      -1.276800    
 H   -2.293000       3.059700     -0.1060000    
 H   -4.487300       2.847600     -0.6880000    
 H   -4.104200       1.562300      -1.847400    
 H   -1.586600     -0.2982000      -1.689300    
 H   -1.590300      -1.900200      -1.030500    
 H   -4.646900      -1.578200       1.599800    
 H   -5.691800      -1.714400      0.1791000    
 H   -4.182200      -2.637600      0.2590000    
 H  -0.3101000      -1.093300       1.762400    
 H    1.326900      -1.233500       1.184600    
 H  -0.8932000      -3.235300      0.5078000    
 H   0.4672000      -3.474700       1.599600    
 H    2.960400      -1.302900      -1.628500    
 H    1.649100       2.016100      0.7809000    
 H    1.873000      -3.130900     -0.1600000    
 H    5.254100      -1.018100     -0.7784000    
 H    3.942000       2.307100       1.632900    
 H    6.270000       1.563000       1.636800    
 H    6.803000      0.2124000      0.6579000    


%chk=000037434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037434

0 1
O 0.382834 0.383419 -1.926271
O 1.707026 -3.194146 -0.544919
N -0.158214 -0.856892 -0.020764
N 6.131242 0.979805 0.887966
C -2.413356 1.297638 0.624687
C -4.607567 1.043365 0.050328
C -2.565035 -0.251029 0.471596
C -4.067969 -0.425563 0.007082
C -3.801113 1.655482 1.234564
C -2.498291 2.005257 -0.761480
C -4.010430 1.821518 -1.161766
C -1.569682 -0.961647 -0.469971
C -4.863924 -1.407158 0.891696
C 0.273481 -1.825282 1.006065
C 0.737935 -0.125800 -0.811704
C 0.623631 -3.222949 0.440197
C 2.137680 0.091291 -0.299283
C 3.224106 -0.093538 -1.194600
C 2.415369 0.611376 0.992492
C 4.545319 0.183598 -0.804471
C 3.731014 0.915311 1.389251
C 4.823491 0.694451 0.499196
H -1.530585 1.593183 1.216614
H -5.707492 1.101854 0.123733
H -2.465444 -0.695072 1.486951
H -4.096765 -0.794849 -1.038982
H -3.957473 2.743635 1.348096
H -3.997660 1.163660 2.205175
H -1.792402 1.588278 -1.498664
H -2.248163 3.076214 -0.647422
H -4.512502 2.798558 -1.288112
H -4.132569 1.261014 -2.107007
H -1.615985 -0.538436 -1.486905
H -1.844308 -2.033607 -0.547557
H -4.938723 -1.037134 1.932103
H -5.892443 -1.549587 0.509836
H -4.378077 -2.401627 0.925440
H -0.540028 -1.940472 1.748034
H 1.151801 -1.434201 1.544718
H -0.232500 -3.664465 -0.097554
H 0.881023 -3.887745 1.294804
H 3.011530 -0.447700 -2.208717
H 1.588663 0.817701 1.683475
H 2.441900 -2.613528 -0.217652
H 5.369111 0.020631 -1.510119
H 3.917853 1.335787 2.385033
H 6.330905 1.365068 1.806323
H 6.905585 0.847631 0.243966


