%chk=000047005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047005

0 1
 O   -1.126500      0.8507000     -6.5200001E-02
 O    4.827600     -0.9175000     -0.4048000    
 O  -0.2173000       2.950300     -0.3184000    
 N   -5.806900     -0.2909000      0.4530000    
 C   -7.170700      0.1633000      0.7867000    
 C   -8.064000      -1.056300       1.084200    
 C   -5.764000      -1.224600     -0.6779000    
 C   -8.059500      -2.075000     -5.1600002E-02
 C   -6.630100      -2.456700     -0.4153000    
 C   -4.866700      0.8097000      0.2611000    
 C   -7.826800       1.085100     -0.2530000    
 C   -3.439800      0.2778000      0.1733000    
 C   -2.433000       1.406000     -5.2999998E-03
 C  -0.1054000       1.738000     -0.2245000    
 C    8.453000     -0.3980000      0.4578000    
 C    7.190600      -1.103300     -3.2800000E-02
 C    1.201200       1.034500     -0.2735000    
 C    9.684700      -1.289100      0.3005000    
 C    5.965500     -0.2072000      8.1400000E-02
 C    2.327000       1.687100      0.1857000    
 C    1.249800     -0.2500000     -0.7756000    
 C    3.630000     -0.2722000     -0.3625000    
 C    10.94880     -0.5778000      0.7566000    
 C    3.554800       1.026500      0.1406000    
 C    2.477600     -0.9105000     -0.8206000    
 H   -7.111700      0.7339000       1.723600    
 H   -7.704900      -1.546500       1.999100    
 H   -9.092700     -0.7364000       1.288300    
 H   -6.076900     -0.7382000      -1.609800    
 H   -4.764500      -1.629400     -0.8498000    
 H   -8.619100      -2.968500      0.2468000    
 H   -8.567400      -1.661000     -0.9304000    
 H   -6.635200      -3.102500      -1.300900    
 H   -6.192900      -3.043100      0.4033000    
 H   -5.097700       1.382300     -0.6455000    
 H   -4.927800       1.501000       1.110800    
 H   -7.895200      0.6220000      -1.241600    
 H   -7.275900       2.025300     -0.3570000    
 H   -8.844300       1.346300      5.9099998E-02
 H   -3.185400     -0.3007000       1.070700    
 H   -3.283900     -0.3916000     -0.6776000    
 H   -2.640600       1.952500     -0.9330000    
 H   -2.494100       2.100400      0.8410000    
 H    8.333200     -0.1172000       1.511300    
 H    8.598500      0.5298000     -0.1090000    
 H    7.312400      -1.417000      -1.077200    
 H    7.023500      -2.024900      0.5388000    
 H    9.799300      -1.585100     -0.7488000    
 H    9.556500      -2.207700      0.8847000    
 H    5.829300      5.3800002E-02   1.138400    
 H    6.135600      0.6936000     -0.5214000    
 H    2.279500       2.697000      0.5825000    
 H   0.3698000     -0.7639000      -1.150600    
 H    11.12360      0.3282000      0.1676000    
 H    10.88020     -0.2943000       1.811700    
 H    11.81690      -1.233600      0.6367000    
 H    4.407700       1.583700      0.5126000    
 H    2.530700      -1.921200      -1.216000    


%chk=000047005-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047005

0 1
O -1.167718 0.725669 -0.059126
O 5.015045 -0.874044 0.034044
O -0.302688 2.883075 0.140716
N -5.999247 -0.359016 0.137882
C -7.276011 0.129911 0.747458
C -8.159178 -1.089075 1.116336
C -6.198048 -1.215952 -1.057670
C -8.410702 -2.017953 -0.094090
C -7.063477 -2.447531 -0.716927
C -4.986134 0.703592 -0.050489
C -8.049459 1.174843 -0.111745
C -3.535481 0.166933 -0.002135
C -2.533161 1.320509 -0.063922
C -0.111105 1.641927 0.050106
C 8.787327 -0.344604 0.300295
C 7.427282 -1.061014 0.132667
C 1.214900 0.974844 0.047643
C 9.985883 -1.319092 0.237262
C 6.254632 -0.080729 0.182852
C 2.372059 1.782159 0.183281
C 1.363940 -0.433979 -0.087424
C 3.793891 -0.196927 0.047978
C 11.344812 -0.609425 0.416985
C 3.658141 1.210530 0.186475
C 2.640660 -1.015232 -0.088906
H -6.988004 0.630937 1.694443
H -7.637390 -1.664959 1.905261
H -9.117609 -0.732311 1.540791
H -6.671001 -0.652658 -1.904085
H -5.206778 -1.550024 -1.414457
H -8.989103 -2.906179 0.224044
H -9.024814 -1.497465 -0.856646
H -7.228001 -3.047074 -1.633277
H -6.510174 -3.079286 0.004734
H -5.134159 1.268964 -1.006772
H -5.115037 1.437199 0.770759
H -8.399461 0.750984 -1.069615
H -7.415630 2.051332 -0.339581
H -8.936232 1.536591 0.440988
H -3.397296 -0.405012 0.932593
H -3.343886 -0.524235 -0.843893
H -2.646145 1.925676 -0.983852
H -2.624279 2.000808 0.803455
H 8.809011 0.194754 1.270450
H 8.905209 0.427009 -0.489234
H 7.401078 -1.603154 -0.831990
H 7.297351 -1.817102 0.930496
H 9.970029 -1.852241 -0.734894
H 9.864765 -2.095306 1.019834
H 6.228903 0.462540 1.150366
H 6.318906 0.660464 -0.640735
H 2.242142 2.864715 0.286031
H 0.471160 -1.056654 -0.189954
H 11.501607 0.153802 -0.368524
H 11.399810 -0.098367 1.396728
H 12.184435 -1.326226 0.363126
H 4.534171 1.855751 0.294941
H 2.776661 -2.095788 -0.192781


