%chk=000043913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043913

2 1
 O   -2.108700      0.6716000      -1.371700    
 O    2.109300      0.6615000       1.375000    
 N   -6.375400     -0.6599000     -3.5900000E-02
 N    6.374600     -0.6608000      3.2099999E-02
 N   -2.962000      0.6537000      0.7886000    
 N    2.963200      0.6624000     -0.7849000    
 C   -4.927000     -0.7347000      0.2771000    
 C    4.926500     -0.7319000     -0.2834000    
 C   -4.362300      0.6650000      0.4331000    
 C    4.362900      0.6695000     -0.4275000    
 C   -6.967800      -2.064400     -0.2169000    
 C   -6.613200      0.1285000      -1.331300    
 C   -7.142500      3.8800001E-02   1.095300    
 C    7.143700      4.7499999E-02  -1.091800    
 C    6.611300      0.1157000       1.334800    
 C    6.965800      -2.067300      0.2012000    
 C  -0.5740000      0.6419000      0.5031000    
 C   0.5749000      0.6460000     -0.5002000    
 C   -1.944700      0.6580000     -0.1548000    
 C    1.945400      0.6589000      0.1581000    
 H   -4.801300      -1.316700       1.198500    
 H   -4.424500      -1.275300     -0.5345000    
 H    4.801600      -1.305600      -1.210200    
 H    4.422600      -1.279600      0.5226000    
 H   -4.843600       1.221900       1.240700    
 H   -4.447200       1.252200     -0.4851000    
 H    4.447200       1.248500      0.4960000    
 H    4.845600       1.233200      -1.229500    
 H   -6.439700      -2.551900      -1.041500    
 H   -6.820500      -2.617500      0.7153000    
 H   -8.033700      -1.971400     -0.4446000    
 H   -6.425200       1.191400      -1.161600    
 H   -7.661400     -1.1000000E-03  -1.619500    
 H   -5.956900     -0.2757000      -2.107500    
 H   -8.213500     -9.2799999E-02  0.9102000    
 H   -6.915800       1.107400       1.096400    
 H   -6.864200     -0.4305000       2.043200    
 H    6.866200     -0.4132000      -2.044200    
 H    6.917600       1.116200      -1.083700    
 H    8.214300     -8.6599998E-02 -0.9066000    
 H    5.953700     -0.2950000       2.106500    
 H    7.659000     -1.7300000E-02   1.623100    
 H    6.424300       1.180200       1.174500    
 H    6.436300      -2.561900       1.020900    
 H    6.819300      -2.612000     -0.7362000    
 H    8.031500      -1.977100      0.4311000    
 H   -2.723400      0.6307000       1.776000    
 H    2.725400      0.6479000      -1.772600    
 H  -0.5087000     -0.2490000       1.139900    
 H  -0.4994000       1.518500       1.158400    
 H   0.5106000     -0.2404000      -1.143300    
 H   0.4995000       1.527300      -1.149300    


%chk=000043913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043913

2 1
O -2.293524 0.036910 -0.763101
O 2.294563 0.030507 0.764039
N -5.929616 -0.793907 0.103161
N 5.928992 -0.794231 -0.108942
N -2.853492 1.208548 1.145236
N 2.853977 1.218141 -1.134566
C -4.767970 -0.367415 1.031043
C 4.767380 -0.359737 -1.033205
C -4.287872 1.098181 0.838222
C 4.288486 1.104694 -0.829374
C -6.213765 -2.275227 0.370587
C -5.537390 -0.630891 -1.375032
C -7.187721 0.019508 0.402716
C 7.187255 0.021430 -0.401573
C 5.536748 -0.643599 1.370490
C 6.212849 -2.273257 -0.388988
C -0.447526 0.899134 0.632596
C 0.448236 0.904096 -0.624166
C -1.914933 0.682237 0.268442
C 1.915688 0.684402 -0.261995
H -5.108144 -0.547885 2.065168
H -3.935760 -1.049239 0.797794
H 5.107159 -0.532712 -2.068746
H 3.934696 -1.042603 -0.804805
H -4.839650 1.791231 1.493402
H -4.437830 1.416675 -0.208912
H 4.439548 1.415821 0.219840
H 4.840168 1.802080 -1.480027
H -5.339170 -2.867479 0.061407
H -6.407044 -2.421789 1.444305
H -7.095785 -2.582460 -0.211602
H -5.684408 0.413691 -1.684045
H -6.186830 -1.281130 -1.980097
H -4.476689 -0.900293 -1.495491
H -7.985324 -0.287754 -0.290871
H -6.973747 1.089070 0.262290
H -7.503402 -0.169271 1.440387
H 7.503044 -0.158711 -1.440753
H 6.973396 1.089806 -0.252307
H 7.984742 -0.291728 0.289513
H 4.476571 -0.915901 1.489033
H 6.187525 -1.297312 1.970329
H 5.681727 0.398856 1.687583
H 5.337992 -2.867953 -0.085258
H 6.406424 -2.410601 -1.463874
H 7.094600 -2.585714 0.190817
H -2.553863 1.744301 1.961680
H 2.554108 1.760279 -1.946690
H -0.111914 0.071083 1.288506
H -0.318593 1.831129 1.212941
H 0.112569 0.081197 -1.286497
H 0.319220 1.840592 -1.197206


