%chk=000039641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039641

0 1
 O    1.758900      0.2603000      -1.259900    
 O   -4.199700      -2.564300      0.7421000    
 O   -5.663200      -1.091600     -0.4762000    
 N   -1.951200       2.111000     -0.8971000    
 C    3.873900      -1.459900     -0.4043000    
 C    4.750500     -0.2394000     -0.1418000    
 C    4.761600      -2.606000      7.0200004E-02
 C   0.7287000      0.3184000      0.8840000    
 C    2.536400      -1.402000      0.3128000    
 C    6.150300     -0.6945000     -0.5428000    
 C    6.153700      -2.219100     -0.4178000    
 C  -0.5145000      0.8247000      0.2233000    
 C    1.418400       1.334200       1.803600    
 C    1.684400     -0.2281000     -0.1335000    
 C  -0.6617000       2.030500     -0.4400000    
 C    2.032700       2.570800       1.136300    
 C   0.3203000       3.120600     -0.6926000    
 C    1.022400       3.578500      0.5832000    
 C   -1.781800      0.1509000      0.1539000    
 C   -2.659500      0.9848000     -0.5532000    
 C   -2.255100      -1.095100      0.6299000    
 C   -3.996700      0.6536000     -0.8187000    
 C   -3.576600      -1.413200      0.3629000    
 C   -4.410900     -0.5729000     -0.3320000    
 C   -5.521200      -2.352200      0.2077000    
 H    3.711500      -1.556300      -1.486700    
 H    4.740300      2.9400000E-02  0.9219000    
 H    4.438500      0.6401000     -0.7129000    
 H    4.441800      -3.573900     -0.3279000    
 H    4.760000      -2.675400       1.165100    
 H   0.4311000     -0.5268000       1.519500    
 H    2.701000      -1.330700       1.394000    
 H    1.961800      -2.316300      0.1271000    
 H    6.914700     -0.2326000      9.0200000E-02
 H    6.364200     -0.4069000      -1.578700    
 H    6.353300      -2.670400      -1.396700    
 H    6.929700      -2.570500      0.2697000    
 H    2.228300      0.8222000       2.339800    
 H   0.7089000       1.664800       2.573900    
 H    2.742300       2.279300      0.3545000    
 H    2.625900       3.090100       1.900500    
 H    1.054800       2.798200      -1.438900    
 H  -0.1978000       3.985700      -1.125900    
 H    1.568300       4.501800      0.3510000    
 H   0.2888000       3.836400       1.357300    
 H   -2.331300       2.888700      -1.418900    
 H   -1.614200      -1.776100       1.179500    
 H   -4.655100       1.315300      -1.367900    
 H   -5.749600      -3.161100     -0.4958000    
 H   -6.243300      -2.388200       1.031500    


%chk=000039641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039641

0 1
O 2.027085 0.646987 -1.090076
O -4.018065 -2.711684 0.803416
O -5.556344 -1.414860 -0.487861
N -2.070883 2.193981 -0.911221
C 3.851137 -1.462894 -0.361515
C 5.014432 -0.458500 -0.153854
C 4.509511 -2.824421 -0.009730
C 0.728998 0.593267 0.996617
C 2.586077 -1.162563 0.457742
C 6.242484 -1.188089 -0.760404
C 5.983443 -2.715821 -0.516822
C -0.543633 1.031111 0.312588
C 1.385367 1.689118 1.910864
C 1.801394 0.073220 0.008780
C -0.766211 2.224189 -0.384054
C 1.927604 2.962399 1.215277
C 0.140114 3.400428 -0.636559
C 0.861505 3.923298 0.633225
C -1.752407 0.234315 0.206858
C -2.702542 0.996054 -0.568161
C -2.113827 -1.056869 0.704040
C -4.010140 0.538625 -0.880230
C -3.395044 -1.495908 0.386056
C -4.313747 -0.726538 -0.380614
C -5.260897 -2.784564 0.002229
H 3.579008 -1.450350 -1.436010
H 5.164547 -0.290445 0.933331
H 4.817217 0.519648 -0.625074
H 3.970055 -3.680532 -0.455164
H 4.493048 -2.965069 1.090015
H 0.484242 -0.248394 1.675925
H 2.829161 -1.060358 1.536839
H 1.875962 -2.017811 0.400481
H 7.194957 -0.847278 -0.316338
H 6.298213 -0.980683 -1.845534
H 6.125134 -3.288992 -1.450927
H 6.688403 -3.133638 0.224531
H 2.219970 1.215346 2.467859
H 0.625401 1.979579 2.662826
H 2.636212 2.681807 0.411809
H 2.517032 3.521479 1.969917
H 0.905863 3.113483 -1.384333
H -0.449338 4.228770 -1.079570
H 1.365388 4.874810 0.369810
H 0.110227 4.161489 1.412933
H -2.488407 2.948582 -1.451773
H -1.433547 -1.669818 1.301156
H -4.729759 1.118962 -1.462806
H -5.094158 -3.449188 -0.869260
H -6.086244 -3.118879 0.647964


