%chk=000058438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058438

0 1
 O    1.073200      0.4863000      0.1867000    
 O  -0.5412000       1.323900      -1.215900    
 N   -4.663300     -0.1957000      0.3318000    
 N   -1.054300      0.5256000      0.9010000    
 C   -3.227500     -0.4440000      0.3244000    
 C   -4.988300      0.9803000     -0.4778000    
 C   -5.392300      -1.366600     -0.1597000    
 C   -2.479400      0.7620000      0.8734000    
 C   -6.474700       1.289900     -0.4244000    
 C   -5.070300      -2.600400      0.6664000    
 C    3.407200      0.3166000     -0.2917000    
 C    2.066400      0.7444000     -0.8122000    
 C  -0.2080000      0.8265000     -0.1453000    
 C    3.869400     -0.9793000     -0.4992000    
 C    4.181800       1.239900      0.4038000    
 C    5.118900      -1.355500     -6.3999998E-03
 C    3.051000      -1.983500      -1.242400    
 C    5.431400      0.8635000      0.8963000    
 C    5.899900     -0.4340000      0.6913000    
 H   -2.960800      -1.287100      0.9711000    
 H   -2.866300     -0.6863000     -0.6842000    
 H   -4.516300       1.882300     -8.0700003E-02
 H   -4.666600      0.8655000      -1.520400    
 H   -6.472400      -1.217800     -5.9999999E-02
 H   -5.180700      -1.566800      -1.217700    
 H   -2.612100       1.663100      0.2709000    
 H   -2.788900      0.9828000       1.901000    
 H   -7.068900      0.5942000      -1.024800    
 H   -6.854100       1.287800      0.6033000    
 H   -6.657100       2.289000     -0.8366000    
 H   -5.796200      -3.390300      0.4410000    
 H   -5.133300      -2.399600       1.741400    
 H   -4.083500      -3.013600      0.4360000    
 H  -0.6531000      0.1081000       1.735200    
 H    1.807500      0.2343000      -1.746700    
 H    2.081900       1.820000      -1.031900    
 H    3.827600       2.253100      0.5728000    
 H    5.499500      -2.362100     -0.1580000    
 H    3.495500      -2.983700      -1.189200    
 H    2.045600      -2.063800     -0.8162000    
 H    2.981100      -1.713900      -2.301200    
 H    6.039300       1.580600       1.440100    
 H    6.872900     -0.7269000       1.074900    


%chk=000058438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058438

0 1
O 1.174091 1.147909 1.132428
O -0.394681 1.866435 -0.494636
N -4.268661 -0.573752 -0.034129
N -1.036139 0.755598 1.472944
C -2.854789 -0.616869 0.406328
C -4.431135 0.114130 -1.346180
C -4.955629 -1.890824 0.028407
C -2.468578 0.689238 1.148323
C -5.822319 0.750566 -1.525744
C -5.307888 -2.314361 1.467146
C 3.359986 0.664718 0.089480
C 2.293488 1.713129 0.316422
C -0.125885 1.307141 0.603042
C 3.128172 -0.466536 -0.752566
C 4.624801 0.831978 0.705669
C 4.186706 -1.388299 -0.948658
C 1.781595 -0.713186 -1.410335
C 5.669889 -0.095150 0.500348
C 5.447066 -1.212644 -0.333539
H -2.712172 -1.474091 1.089950
H -2.150121 -0.762874 -0.447636
H -3.666179 0.910281 -1.407455
H -4.220759 -0.584743 -2.195031
H -5.893501 -1.806503 -0.550044
H -4.350858 -2.692903 -0.466495
H -2.709616 1.558800 0.513880
H -3.061594 0.772058 2.075780
H -6.629991 -0.003610 -1.500784
H -6.013560 1.479740 -0.719328
H -5.883261 1.273031 -2.498697
H -5.842257 -3.282894 1.466475
H -5.953312 -1.552520 1.937928
H -4.406096 -2.432649 2.095956
H -0.672915 0.320244 2.321273
H 1.854779 2.092071 -0.625339
H 2.694180 2.561186 0.897685
H 4.790288 1.701550 1.354077
H 4.018697 -2.256745 -1.597300
H 1.870432 -1.447974 -2.228937
H 1.054778 -1.113168 -0.677057
H 1.334236 0.209879 -1.820381
H 6.641959 0.052701 0.983290
H 6.247253 -1.941289 -0.506359


