%chk=000050383.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050383

0 1
 O  -1.9999999E-04 -0.6707000     -0.9506000    
 O   -4.008600      -2.920800      0.7530000    
 O    4.009500      -2.919800      0.7540000    
 N  -1.9999999E-04   3.240600     -0.3534000    
 N   1.9999999E-04   2.261900       1.906200    
 C   -1.291300       1.129100      7.6200001E-02
 C    1.291100       1.129200      7.5800002E-02
 C   -1.210400       2.468900     -0.7103000    
 C   -1.203600       1.467000       1.590500    
 C    1.209900       2.469000     -0.7107000    
 C    1.203900       1.467100       1.590000    
 C  -9.9999997E-05  0.3805000     -0.3135000    
 C    0.000000       3.496300       1.099700    
 C   -2.540100      0.2898000     -0.2112000    
 C    2.539700      0.2897000     -0.2120000    
 C   -2.708500     -0.9488000      0.4096000    
 C    2.708500     -0.9487000      0.4093000    
 C   -3.511700      0.7626000      -1.094800    
 C    3.511100      0.7622000      -1.095900    
 C   -3.845600      -1.712900      0.1476000    
 C    3.845600      -1.712700      0.1472000    
 C   -4.648800     -1.4000000E-03  -1.356900    
 C    4.648200     -1.7000000E-03  -1.358000    
 C   -4.815800      -1.239100     -0.7357000    
 C    4.815500      -1.239200     -0.7365000    
 C   -5.194400      -3.649800      0.4391000    
 C    5.195900      -3.648200      0.4412000    
 H   -1.204400       2.292900      -1.794600    
 H   -2.085300       3.099200     -0.5023000    
 H   -2.096200       2.023800       1.907500    
 H   -1.189300      0.5596000       2.207700    
 H    2.084900       3.099300     -0.5030000    
 H    1.203600       2.292900      -1.795100    
 H    1.189800      0.5597000       2.207300    
 H    2.096600       2.023900       1.906700    
 H   0.8694000       4.111800       1.366600    
 H  -0.8694000       4.111700       1.366900    
 H   -1.959000      -1.335700       1.095300    
 H    1.959300      -1.335300       1.095500    
 H   -3.430200       1.715600      -1.605300    
 H    3.429500       1.715100      -1.606800    
 H   -5.403800      0.3675000      -2.045200    
 H    5.403100      0.3671000      -2.046600    
 H   -5.722200      -1.780400     -0.9845000    
 H    5.722000      -1.780400     -0.9853000    
 H   -6.093500      -3.113400      0.7609000    
 H   -5.159200      -4.584600       1.008200    
 H   -5.230500      -3.922300     -0.6211000    
 H    6.094600      -3.110700      0.7622000    
 H    5.232200      -3.922200     -0.6187000    
 H    5.161500      -4.582300       1.011500    


%chk=000050383-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050383

0 1
O 0.000111 -0.793289 -0.927955
O -3.984710 -2.941030 0.731506
O 3.985296 -2.940404 0.731491
N -0.000189 3.251240 -0.360286
N -0.000082 2.231885 1.887197
C -1.291262 1.099948 0.005638
C 1.291218 1.100146 0.005605
C -1.217775 2.499145 -0.739735
C -1.215157 1.451385 1.561219
C 1.217501 2.499325 -0.739768
C 1.215106 1.451578 1.561184
C 0.000031 0.332640 -0.362271
C -0.000192 3.504516 1.108971
C -2.570420 0.318915 -0.285801
C 2.570484 0.319299 -0.285862
C -2.747933 -0.956948 0.296857
C 2.748206 -0.956522 0.296826
C -3.615685 0.847319 -1.092344
C 3.615644 0.847838 -1.092451
C -3.938982 -1.690157 0.091972
C 3.939359 -1.689558 0.091922
C -4.800020 0.109662 -1.297136
C 4.800085 0.110355 -1.297258
C -4.981280 -1.161426 -0.708837
C 4.981553 -1.160691 -0.708931
C -5.177537 -3.763685 0.523270
C 5.178263 -3.762863 0.523285
H -1.230774 2.350688 -1.834493
H -2.101254 3.103485 -0.459906
H -2.112241 2.041126 1.828102
H -1.230516 0.522645 2.157501
H 2.100898 3.103798 -0.459966
H 1.230489 2.350871 -1.834527
H 1.230636 0.522846 2.157473
H 2.112103 2.041468 1.828031
H 0.901137 4.084453 1.371584
H -0.901605 4.084313 1.371605
H -1.959692 -1.425043 0.893936
H 1.960057 -1.424717 0.893946
H -3.515803 1.824206 -1.573187
H 3.515602 1.824698 -1.573316
H -5.596396 0.526856 -1.923919
H 5.596381 0.527652 -1.924074
H -5.908499 -1.715979 -0.880091
H 5.908852 -1.715107 -0.880198
H -6.087321 -3.263162 0.909447
H -4.992905 -4.685887 1.093746
H -5.315812 -4.009247 -0.547782
H 6.087966 -3.262161 0.909421
H 5.316565 -4.008461 -0.547755
H 4.993798 -4.685066 1.093814


