%chk=000129437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129437

0 1
 O   -1.683300       2.213200      0.6749000    
 O   -3.101900      0.2362000     -0.5893000    
 O  -0.8168000       2.886400      -1.392900    
 O   -3.906300     -0.4847000       1.487500    
 N    2.084100     -0.6831000       1.226000    
 C    3.231900     -0.4055000      0.3896000    
 C    2.763400      5.4200001E-02 -0.9932000    
 C    4.107600      0.6539000       1.062300    
 C    3.941300      0.4537000      -1.878600    
 C    5.283300       1.054500      0.1746000    
 C    4.817300       1.507200      -1.206300    
 C   0.7803000     -0.5001000      0.7529000    
 C    2.316100      -1.149000       2.591500    
 C   6.3600004E-02  -1.531200      0.1032000    
 C   0.1741000      0.7524000      0.9350000    
 C   -1.253500      -1.292900     -0.3563000    
 C   -1.121300      0.9866000      0.4835000    
 C   -1.831500     -2.8300000E-02 -0.1585000    
 C   0.6420000      -2.795600     -9.4599999E-02
 C   -1.953700      -2.326100      -1.000300    
 C  -6.8400003E-02  -3.810700     -0.7361000    
 C   -1.363600      -3.576400      -1.188000    
 C   -1.455100       3.117500     -0.3745000    
 C   -4.093600     -4.2900000E-02  0.3617000    
 C   -2.110900       4.431600     -7.0100002E-02
 C   -5.445000      0.2789000     -0.2041000    
 H    3.816500      -1.327400      0.2696000    
 H    2.214400     -0.7373000      -1.515200    
 H    2.108500      0.9317000     -0.9320000    
 H    3.510300       1.545800       1.293900    
 H    4.503600      0.2900000       2.017300    
 H    4.545900     -0.4336000      -2.103700    
 H    3.571300      0.8386000      -2.835700    
 H    5.850000       1.860400      0.6544000    
 H    5.966500      0.2029000      6.8000004E-02
 H    5.687400       1.720500      -1.837500    
 H    4.253600       2.443600      -1.111800    
 H    2.283600     -0.3060000       3.289100    
 H    3.287800      -1.645600       2.685200    
 H    1.552300      -1.874300       2.893500    
 H   0.7189000       1.550600       1.435800    
 H    1.650300      -3.023500      0.2421000    
 H   -2.965500      -2.179100      -1.370900    
 H   0.3902000      -4.784200     -0.8830000    
 H   -1.915400      -4.366900      -1.688400    
 H   -3.188600       4.288700      4.0600002E-02
 H   -1.933500       5.125800     -0.8963000    
 H   -1.682400       4.855400      0.8413000    
 H   -5.493600       1.339700     -0.4619000    
 H   -6.212300      6.6000000E-02  0.5456000    
 H   -5.633600     -0.3411000      -1.083800    


%chk=000129437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129437

0 1
O -1.608663 2.008871 -0.005973
O -3.329661 -0.111314 -0.449640
O 0.218563 3.027386 -1.097134
O -3.795465 0.665043 1.721940
N 2.185227 -1.101491 0.666775
C 3.290506 -0.207672 0.214044
C 3.131930 0.267650 -1.251191
C 3.619940 0.992350 1.155149
C 4.415662 0.996821 -1.721995
C 4.905718 1.712281 0.678383
C 4.767442 2.181289 -0.789833
C 0.820812 -0.857070 0.375362
C 2.547499 -1.994051 1.786545
C -0.078588 -1.969531 0.094312
C 0.307165 0.451733 0.320188
C -1.491482 -1.712734 -0.109568
C -1.058111 0.692828 0.022307
C -1.959354 -0.360945 -0.140828
C 0.384959 -3.318392 -0.039320
C -2.384340 -2.812704 -0.332137
C -0.499953 -4.372825 -0.281257
C -1.901014 -4.120292 -0.402388
C -0.906111 3.106448 -0.565975
C -4.165650 0.461900 0.554524
C -1.750164 4.350757 -0.410337
C -5.520041 0.758296 -0.047338
H 4.191549 -0.863412 0.233291
H 2.923173 -0.608510 -1.894308
H 2.271847 0.955442 -1.349570
H 2.786585 1.720492 1.153087
H 3.742368 0.641188 2.198237
H 5.264603 0.281460 -1.739951
H 4.276743 1.355975 -2.759641
H 5.123423 2.573077 1.339751
H 5.768642 1.018466 0.761650
H 5.704126 2.666928 -1.125822
H 3.964598 2.943826 -0.855525
H 2.947386 -1.416243 2.647135
H 3.321290 -2.729014 1.484708
H 1.663180 -2.543793 2.141731
H 0.951258 1.300974 0.537475
H 1.460162 -3.509453 0.014503
H -3.448780 -2.601857 -0.470342
H -0.118905 -5.393729 -0.393532
H -2.591670 -4.952441 -0.577453
H -2.696998 4.234860 -0.966221
H -1.200426 5.222385 -0.792999
H -2.011530 4.501649 0.650924
H -5.426363 1.574274 -0.785755
H -6.221716 1.058343 0.744018
H -5.905074 -0.125020 -0.583902


