%chk=000040202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040202

0 1
 O    6.916900     -0.2310000     -0.6701000    
 O   0.6355000     -0.2035000      0.5497000    
 O  -0.4454000      -1.840900     -0.6545000    
 N    4.310300     -0.4579000      0.4505000    
 C    5.377700      0.2870000       1.132600    
 C    4.521600     -0.4227000      -1.003300    
 C    2.997400      8.2300000E-02  0.7973000    
 C    6.738100     -0.2861000      0.7458000    
 C    5.901900     -0.9800000      -1.339300    
 C    1.891200     -0.7534000      0.1732000    
 C   -1.741200     -0.1872000      0.5955000    
 C  -0.4739000     -0.8491000      6.3199997E-02
 C   -1.855900       1.291300      0.2487000    
 C   -3.007700     -0.9560000      0.2412000    
 C   -2.532700       2.127500       1.112100    
 C   -3.660000     -0.6574000     -0.9368000    
 C   -1.279800       1.748300     -0.9183000    
 C   -3.462400      -1.926000       1.109800    
 C   -2.638300       3.481600      0.7942000    
 C   -4.820000      -1.361100      -1.261000    
 C   -1.385200       3.102400      -1.236300    
 C   -4.622300      -2.629800      0.7856000    
 C   -2.064500       3.968900     -0.3799000    
 C   -5.301100      -2.347200     -0.3999000    
 H    5.258000      0.2146000       2.219600    
 H    5.337300       1.348600      0.8555000    
 H    4.438500      0.6052000      -1.379200    
 H    3.806300      -1.048400      -1.543000    
 H    2.891700       1.130900      0.4880000    
 H    2.861100      7.3600002E-02   1.886600    
 H    7.536200      0.3060000       1.205000    
 H    6.853700      -1.321300       1.089300    
 H    5.989000      -2.039000      -1.066900    
 H    6.085200     -0.8991000      -2.415600    
 H    1.926700     -0.7335000     -0.9193000    
 H    1.953500      -1.792000      0.5204000    
 H   -1.628500     -0.2417000       1.690400    
 H   -2.983200       1.756200       2.027700    
 H   -3.304900      8.4200002E-02  -1.642700    
 H  -0.7599000       1.094100      -1.610900    
 H   -2.939600      -2.155000       2.033400    
 H   -3.167800       4.156300       1.460700    
 H   -5.345800      -1.145400      -2.186600    
 H  -0.9419000       3.481600      -2.152400    
 H   -4.996400      -3.398300       1.455500    
 H   -2.147600       5.023000     -0.6281000    
 H   -6.203400      -2.896200     -0.6531000    


%chk=000040202-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040202

0 1
O 7.261135 -0.921475 -0.021474
O 0.716999 -0.033045 0.377673
O -0.306870 -0.102651 -1.711078
N 4.378568 -0.826048 0.355902
C 5.298187 -1.135277 1.482941
C 5.059475 0.056277 -0.630205
C 3.076041 -0.294262 0.818737
C 6.579105 -1.795407 0.948014
C 6.347002 -0.616709 -1.134188
C 1.993228 -0.490132 -0.248990
C -1.619662 0.517329 0.318061
C -0.376286 0.109245 -0.478825
C -2.233190 1.844033 -0.161697
C -2.631793 -0.647165 0.306095
C -2.854300 2.675815 0.805343
C -3.345040 -0.993291 -0.868700
C -2.241474 2.250898 -1.519986
C -2.849200 -1.393738 1.490148
C -3.474913 3.886455 0.428157
C -4.262808 -2.065891 -0.854237
C -2.859095 3.465606 -1.896593
C -3.770515 -2.465951 1.506175
C -3.479440 4.286800 -0.928228
C -4.480961 -2.804911 0.332555
H 4.791181 -1.829468 2.179516
H 5.575924 -0.212848 2.052796
H 5.315868 1.046455 -0.174976
H 4.390554 0.240133 -1.490816
H 3.127396 0.785248 1.103651
H 2.773468 -0.855554 1.721650
H 7.308100 -1.964842 1.757576
H 6.323508 -2.763055 0.464720
H 6.088231 -1.552988 -1.674020
H 6.909912 0.054856 -1.803174
H 2.165809 0.100184 -1.165770
H 1.895781 -1.554284 -0.525150
H -1.283850 0.653156 1.360197
H -2.857218 2.369326 1.858852
H -3.180517 -0.426345 -1.790562
H -1.754745 1.626083 -2.275988
H -2.295824 -1.136816 2.401988
H -3.950091 4.515681 1.189225
H -4.809077 -2.325404 -1.768103
H -2.854545 3.769612 -2.949599
H -3.931942 -3.032972 2.429918
H -3.957805 5.227020 -1.224650
H -5.195910 -3.635282 0.341418


