%chk=000066526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066526

0 1
 O   0.6755000     -0.7179000       1.960300    
 O  -0.6766000     -0.7177000      -1.961400    
 N    2.179600     -0.8265000      0.1740000    
 N   -2.179100     -0.8272000     -0.1739000    
 C   0.5432000      0.9978000      0.4368000    
 C  -0.5434000      0.9977000     -0.4378000    
 C    1.132800     -0.2472000      0.9118000    
 C   -1.133100     -0.2474000     -0.9124000    
 C    2.684300     -0.2299000      -1.060700    
 C    2.831400      -2.060200      0.5906000    
 C   -2.683000     -0.2308000       1.061400    
 C   -2.831000      -2.060900     -0.5901000    
 C    1.086100       2.205900      0.8745000    
 C   -1.087100       2.205700     -0.8746000    
 C    3.812600      0.7427000     -0.7862000    
 C    2.143100      -3.276200      5.9000002E-03
 C   -3.811800      0.7414000      0.7880000    
 C   -2.141800      -3.276900     -6.3000000E-03
 C   0.5424000       3.413800      0.4374000    
 C  -0.5441000       3.413800     -0.4372000    
 H    3.029700      -1.029100      -1.726400    
 H    1.886600      0.2899000      -1.596200    
 H    3.887800      -2.033000      0.3027000    
 H    2.791400      -2.123200       1.683800    
 H   -3.027500      -1.030300       1.727300    
 H   -1.885000      0.2892000       1.596200    
 H   -3.887100      -2.034100     -0.3013000    
 H   -2.791900      -2.123700      -1.683400    
 H    1.925400       2.220900       1.565100    
 H   -1.926600       2.220600      -1.565000    
 H    3.513100       1.564500     -0.1341000    
 H    4.657300      0.2379000     -0.3056000    
 H    4.173000       1.174900      -1.725200    
 H    1.108100      -3.341200      0.3532000    
 H    2.128200      -3.241900      -1.088000    
 H    2.660200      -4.190600      0.3126000    
 H   -3.513200       1.563300      0.1358000    
 H   -4.656800      0.2364000      0.3081000    
 H   -4.171600       1.173300       1.727400    
 H   -1.107100      -3.341500     -0.3546000    
 H   -2.125900      -3.242700       1.087700    
 H   -2.659000      -4.191400     -0.3127000    
 H   0.9639000       4.354400      0.7797000    
 H  -0.9661000       4.354300     -0.7789000    


%chk=000066526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066526

0 1
O 0.675137 -0.696770 1.973508
O -0.674070 -0.696744 -1.972546
N 2.236422 -0.756080 0.240393
N -2.235996 -0.756622 -0.240043
C 0.605028 1.113833 0.373972
C -0.604993 1.113759 -0.372872
C 1.172768 -0.186142 0.910677
C -1.172341 -0.186230 -0.909960
C 2.715664 -0.294204 -1.085887
C 2.831341 -1.997423 0.793993
C -2.716024 -0.294960 1.086036
C -2.830119 -1.998240 -0.793871
C 1.195480 2.345284 0.746762
C -1.195631 2.345150 -0.745550
C 4.004244 0.550476 -1.008002
C 2.103437 -3.269499 0.308836
C -4.005075 0.548956 1.007604
C -2.101688 -3.269975 -0.308608
C 0.599107 3.570799 0.375521
C -0.599525 3.570730 -0.374085
H 2.887554 -1.193859 -1.707366
H 1.905591 0.267650 -1.578499
H 3.897642 -2.020064 0.501655
H 2.772187 -1.935947 1.894142
H -2.887657 -1.194688 1.707478
H -1.906485 0.267358 1.578982
H -3.896481 -2.021441 -0.501805
H -2.770708 -1.936666 -1.894002
H 2.112549 2.340666 1.346825
H -2.112648 2.340434 -1.345689
H 3.822198 1.493682 -0.463968
H 4.816653 0.005070 -0.493670
H 4.354127 0.802328 -2.025981
H 1.060466 -3.264213 0.666914
H 2.095971 -3.335767 -0.794286
H 2.604677 -4.171416 0.705614
H -3.823356 1.492270 0.463650
H -4.816950 0.003076 0.492927
H -4.355538 0.800597 2.025436
H -1.058629 -3.264122 -0.666419
H -2.094483 -3.336306 0.794513
H -2.602354 -4.172128 -0.705576
H 1.064596 4.517204 0.671443
H -1.065186 4.517085 -0.669893


