%chk=000043886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043886

2 1
 O   -3.327400       1.376300      -1.396100    
 O    3.333400       1.374100       1.397300    
 N   -7.024600      -1.117400      5.5999998E-03
 N    6.993500      -1.115600     -5.5000000E-03
 N   -3.602100      0.3405000      0.6612000    
 N    3.600200      0.3395000     -0.6607000    
 C   -5.504500      -1.050400     -2.2299999E-02
 C    5.511400      -1.051200      2.2299999E-02
 C   -7.598900      7.0900001E-02 -0.7523000    
 C   -7.487500      -2.409800     -0.6512000    
 C   -7.507800      -1.080100       1.448300    
 C    7.514200      -1.079300      -1.449100    
 C    7.605100      7.1199998E-02  0.7519000    
 C    7.495800      -2.409500      0.6501000    
 C   -5.035500      0.2443000      0.6148000    
 C    5.041600      0.2436000     -0.6144000    
 C   -2.854300      0.9075000     -0.3641000    
 C    2.829000      0.9057000      0.3612000    
 C   -1.380600      0.9072000     -0.1761000    
 C    1.386600      0.9059000      0.1770000    
 C  -0.5358000      0.9073000      -1.286100    
 C   0.8478000      0.9066000      -1.109600    
 C  -0.8416000      0.9067000       1.110500    
 C   0.5420000      0.9059000       1.287000    
 H   -5.183000      -1.121500      -1.068600    
 H   -5.118700      -1.924800      0.5158000    
 H    5.180800      -1.120900       1.065900    
 H    5.116600      -1.922200     -0.5153000    
 H   -7.464400      0.9887000     -0.1748000    
 H   -7.108400      0.1367000      -1.728000    
 H   -8.671900     -0.1013000     -0.8861000    
 H   -7.064300      -3.250900     -9.3999997E-02
 H   -8.580600      -2.445700     -0.6231000    
 H   -7.132800      -2.417400      -1.686200    
 H   -6.955100      -1.828100       2.024400    
 H   -7.377500     -7.8900002E-02   1.865500    
 H   -8.575700      -1.322000       1.452300    
 H    6.974500      -1.832700      -2.030300    
 H    7.381800     -7.9700001E-02  -1.869400    
 H    8.583400      -1.313600      -1.429700    
 H    7.128700      0.1369000       1.734300    
 H    8.677800     -0.1155000      0.8654000    
 H    7.468100      0.9910000      0.1783000    
 H    7.148100      -2.421800       1.687200    
 H    7.079900      -3.255100      9.4400004E-02
 H    8.588900      -2.424000      0.6110000    
 H   -5.394800       1.125000      7.6300003E-02
 H   -5.349900      0.3319000       1.657600    
 H    5.395800       1.125000     -7.3700003E-02
 H    5.353900      0.3337000      -1.657500    
 H   -3.142900     -9.3000002E-02   1.455000    
 H    3.147700     -9.5600002E-02  -1.457500    
 H  -0.9369000      0.9102000      -2.296200    
 H    1.468000      0.9375000      -2.000600    
 H   -1.462700      0.9372000       2.000800    
 H   0.9423000      0.9078000       2.297600    


%chk=000043886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043886

2 1
O -3.604429 0.360442 -0.922597
O 3.609104 0.358167 0.925354
N -7.100458 -0.691947 0.006490
N 7.104735 -0.692158 -0.008726
N -3.573511 -0.110026 1.332520
N 3.577163 -0.105824 -1.331223
C -5.759876 -1.085164 0.670712
C 5.763524 -1.082896 -0.673041
C -6.896013 0.434063 -1.021150
C -7.630193 -1.927887 -0.726806
C -8.118898 -0.259114 1.059265
C 8.122860 -0.257405 -1.061012
C 6.901503 0.431416 1.021637
C 7.634099 -1.930177 0.721335
C -5.030004 0.076364 1.403645
C 5.033568 0.080869 -1.402392
C -2.919278 0.119293 0.127525
C 2.923584 0.120276 -0.125188
C -1.417162 0.077176 0.107647
C 1.421498 0.077997 -0.105184
C -0.790119 0.092063 -1.165117
C 0.612500 0.092039 -1.272855
C -0.608060 0.074731 1.275375
C 0.794556 0.075747 1.167687
H -5.118783 -1.447709 -0.146960
H -5.982993 -1.918921 1.358376
H 5.122744 -1.447016 0.144193
H 5.985553 -1.915060 -1.362995
H -6.871657 1.404970 -0.506598
H -5.938373 0.275069 -1.540001
H -7.742487 0.418427 -1.723950
H -7.701409 -2.768741 -0.019970
H -8.625679 -1.702210 -1.138305
H -6.938111 -2.180701 -1.544267
H -8.321184 -1.102203 1.737895
H -7.718396 0.594146 1.626069
H -9.048868 0.043166 0.553754
H 8.323780 -1.098788 -1.742155
H 7.722801 0.597870 -1.625076
H 9.053524 0.042496 -0.555362
H 5.944826 0.270932 1.541775
H 7.749035 0.414647 1.723156
H 6.875770 1.403452 0.509337
H 6.942258 -2.184574 1.538514
H 7.704444 -2.769354 0.012422
H 8.629916 -1.706084 1.132888
H -5.272537 1.043454 0.928110
H -5.324532 0.128031 2.464256
H 5.275911 1.046429 -0.923699
H 5.327908 0.136055 -2.462876
H -3.058348 -0.342621 2.181309
H 3.061686 -0.339269 -2.179618
H -1.424154 0.125934 -2.056270
H 1.051613 0.140969 -2.275937
H -1.046722 0.108766 2.279271
H 1.428471 0.097191 2.059313


