%chk=000131429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131429

0 1
 O   -4.966700       1.240800      0.8907000    
 O   -5.162500      -1.645200      -1.215000    
 N    3.293100     -8.7399997E-02 -5.1700000E-02
 N   -5.528000     -0.5584000     -0.4125000    
 C    4.160500      0.7223000     -0.7556000    
 C    4.011400      -1.134400      0.4876000    
 C    1.932700      0.1165000      8.9699998E-02
 C    5.426200      0.1872000     -0.6622000    
 C    5.331900     -0.9874000      0.1245000    
 C    1.045800     -0.4322000     -0.8366000    
 C    1.447300      0.8714000       1.157500    
 C    3.707200       1.941300      -1.460300    
 C    3.375500      -2.190400       1.305400    
 C  -0.7928000      0.5263000      0.3704000    
 C  -0.3265000     -0.2257000     -0.6954000    
 C   7.5000003E-02   1.077700       1.298800    
 C   -2.242800      0.7438000      0.5198000    
 C   -3.188900     -1.8100001E-02 -5.0400000E-02
 C   -4.633000      0.2877000      0.1867000    
 C   -6.965600     -0.4355000     -0.2916000    
 H    6.321600      0.5956000      -1.110000    
 H    6.141300      -1.651600      0.3947000    
 H    1.410400      -1.018600      -1.676900    
 H    2.126500       1.305200       1.887600    
 H    4.547200       2.440000      -1.955600    
 H    2.968300       1.699500      -2.231000    
 H    3.265000       2.659100     -0.7618000    
 H    2.909000      -1.767900       2.201200    
 H    2.613400      -2.727800      0.7320000    
 H    4.116500      -2.925800       1.636700    
 H  -0.9761000     -0.6523000      -1.452900    
 H  -0.2879000       1.666800       2.136800    
 H   -2.521100       1.582700       1.153300    
 H   -2.951200     -0.8781000     -0.6630000    
 H   -7.360300      -1.352000      0.1561000    
 H   -7.391900     -0.3098000      -1.291000    
 H   -7.239800      0.4197000      0.3309000    
 H   -5.182200      -2.364400     -0.5607000    


%chk=000131429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131429

0 1
O -5.070404 1.311328 0.861097
O -5.326017 -1.720973 -1.099893
N 3.391982 -0.073601 -0.049409
N -5.720386 -0.643473 -0.192282
C 4.274965 0.886941 -0.607685
C 4.128496 -1.220063 0.345990
C 1.973050 0.086941 0.085513
C 5.558328 0.335982 -0.563861
C 5.468725 -0.970710 0.038982
C 1.086006 -0.826870 -0.543824
C 1.439377 1.161413 0.838940
C 3.807490 2.192713 -1.189570
C 3.504482 -2.397291 1.043850
C -0.858126 0.406731 0.335328
C -0.304311 -0.671237 -0.416603
C 0.045376 1.317664 0.954514
C -2.301020 0.623771 0.496385
C -3.315106 -0.152116 0.004822
C -4.723138 0.247400 0.250640
C -7.130663 -0.259032 -0.320710
H 6.458338 0.822191 -0.938249
H 6.292260 -1.654309 0.241669
H 1.499326 -1.638946 -1.150434
H 2.119485 1.853790 1.344658
H 4.642864 2.660700 -1.736723
H 2.970650 2.057258 -1.900904
H 3.468021 2.915796 -0.423324
H 2.891628 -2.089897 1.912696
H 2.852728 -3.001920 0.384508
H 4.305012 -3.059620 1.413500
H -0.967296 -1.381291 -0.922390
H -0.358279 2.150704 1.542256
H -2.606649 1.509129 1.073526
H -3.138965 -1.050222 -0.592919
H -7.790181 -1.052049 0.074340
H -7.383008 -0.067371 -1.380127
H -7.268822 0.662583 0.265760
H -5.407719 -2.551445 -0.553866


