%chk=000129768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129768

0 1
 O    2.931700      0.4244000     -0.2667000    
 O    1.126600     -0.9158000      0.3568000    
 O    5.530400      -2.750600     -7.2300002E-02
 O    6.552000     -3.0200001E-02 -1.3100000E-02
 O    2.930700      -2.872400       1.306200    
 O    5.768500       2.392300     -0.9040000    
 O    3.680200       2.312400      -1.814200    
 N   0.4258000      0.2580000      0.6041000    
 N   -1.573200       1.472500      0.8400000    
 N   -1.746800     -0.5776000      3.5000001E-03
 N   -6.645000     -0.1549000     -0.4367000    
 C    4.810700      -1.629800      0.4434000    
 C    5.217700     -0.3954000     -0.3617000    
 C    3.308600      -1.894900      0.3371000    
 C    4.294000      0.7772000     -5.6100000E-02
 C    2.502000     -0.6228000      0.5996000    
 C    4.512600       1.896400      -1.022000    
 C  -0.9242000      0.3318000      0.4671000    
 C   -2.909800       1.285700      0.6000000    
 C   -2.996300     -9.9999997E-05  7.8199998E-02
 C   -4.272900     -0.5030000     -0.2801000    
 C   -4.018700       2.105600      0.7883000    
 C   -5.422800      0.2995000     -0.1040000    
 C  -0.9772000       2.670100       1.391200    
 C   -5.266500       1.579300      0.4242000    
 C   -4.414300      -1.795200     -0.8112000    
 C   -5.676500      -2.256500      -1.151300    
 C   -6.747200      -1.406200     -0.9464000    
 H    5.104900      -1.530800       1.495700    
 H    5.215300     -0.6316000      -1.432900    
 H    3.061600      -2.307200     -0.6491000    
 H    4.420300       1.172900      0.9593000    
 H    2.613100     -0.3178000       1.650600    
 H    6.478500      -2.546700      1.6000000E-03
 H    6.568300      0.1824000      0.9357000    
 H    3.468800      -3.666000       1.142900    
 H   0.9750000       1.037900      0.9558000    
 H   -3.942100       3.107200       1.195500    
 H  -0.4600000       2.402900       2.316600    
 H  -0.2736000       3.072800      0.6578000    
 H   -1.741500       3.417700       1.608200    
 H    5.932600       3.127900      -1.531800    
 H   -6.145500       2.207900      0.5647000    
 H   -3.552500      -2.440200     -0.9605000    
 H   -5.818600      -3.248700      -1.563300    
 H   -7.756800      -1.717300      -1.195500    


%chk=000129768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129768

0 1
O 3.344848 0.886859 0.676621
O 1.250003 0.769456 -0.335923
O 4.896881 -1.793637 -2.118372
O 6.410049 -1.278009 0.257713
O 2.073044 -1.594279 -1.812491
O 6.695034 0.732999 2.083821
O 5.013254 2.318609 2.346440
N 0.422641 1.037126 0.934332
N -1.673088 1.699934 -0.253398
N -1.703353 -0.134283 1.131521
N -6.575887 -0.906345 0.194576
C 4.316534 -1.317841 -0.860527
C 5.294217 -0.406048 -0.104767
C 2.997890 -0.621841 -1.242613
C 4.547037 0.193690 1.128115
C 2.363935 -0.038132 0.030778
C 5.371425 1.219259 1.904104
C -0.941467 0.860084 0.627913
C -2.975635 1.202792 -0.286379
C -2.973803 0.069561 0.582132
C -4.174866 -0.685673 0.783916
C -4.138022 1.633906 -0.989684
C -5.359172 -0.248659 0.072552
C -1.155429 2.828617 -1.034054
C -5.309039 0.901791 -0.799167
C -4.273570 -1.828551 1.631264
C -5.506171 -2.481148 1.743726
C -6.626708 -1.983262 1.007642
H 4.085865 -2.183568 -0.199731
H 5.626106 0.424748 -0.762747
H 3.213011 0.201862 -1.955164
H 4.304652 -0.644739 1.823277
H 2.064624 -0.824483 0.753185
H 5.758824 -2.234503 -1.903567
H 7.015793 -0.766869 0.859448
H 2.569978 -2.083155 -2.520028
H 0.691272 2.000441 1.193940
H -4.120173 2.504724 -1.653103
H -1.572923 3.786581 -0.675050
H -0.057788 2.852506 -0.955396
H -1.412480 2.700794 -2.099779
H 7.222339 1.390162 2.613321
H -6.240383 1.173068 -1.305186
H -3.384486 -2.167885 2.171717
H -5.626068 -3.362027 2.382235
H -7.600844 -2.481533 1.084038


