%chk=000072083.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072083

1 1
 O   0.2537000       1.249300     -0.1584000    
 O  -0.1672000       1.616600       2.076000    
 N    3.304900      0.7218000     -1.3200000E-02
 C    2.414000       1.654000      0.8460000    
 C    2.840000      0.9131000      -1.468900    
 C    1.343900       2.161400     -0.1058000    
 C    2.043500       2.204400      -1.448400    
 C   -2.573100      0.5784000     -0.1678000    
 C    3.134000     -0.7286000      0.4110000    
 C    4.769100       1.113700      0.1313000    
 C   -1.542500      4.3299999E-02  0.8109000    
 C   -3.810300     -0.3066000     -0.2824000    
 C   -3.168800       1.916600      0.2580000    
 C   -4.860200      0.6028000     -0.9131000    
 C   -4.440700       2.034600     -0.5754000    
 C  -0.4294000       1.063100       1.015900    
 C    3.940000      -1.616100     -0.5122000    
 C  -0.9991000      -1.313300      0.3931000    
 C  -0.8425000      -1.586000     -0.9515000    
 C  -0.6767000      -2.234600       1.369900    
 C  -0.3437000      -2.830800      -1.335100    
 C  -0.1776000      -3.479500      0.9863000    
 C  -1.1200000E-02  -3.777500     -0.3662000    
 H    2.087300       1.085200       1.718100    
 H    3.043300       2.485800       1.181700    
 H    2.179800      8.0899999E-02  -1.738700    
 H    3.702900      0.9453000      -2.140900    
 H   0.9666000       3.150500      0.1764000    
 H    1.346500       2.249200      -2.290800    
 H    2.719900       3.065200      -1.503300    
 H   -2.149900      0.7442000      -1.166800    
 H    2.068600     -0.9674000      0.3517000    
 H    3.464900     -0.8229000       1.451100    
 H    4.858900       2.183700     -8.2000002E-02
 H    5.084600      0.9062000       1.157800    
 H    5.377300      0.5634000     -0.5901000    
 H   -2.030900     -7.4299999E-02   1.789400    
 H   -3.652800      -1.202800     -0.8893000    
 H   -4.154600     -0.6293000      0.7082000    
 H   -3.427500       1.910400       1.324100    
 H   -2.494000       2.760000      8.0399998E-02
 H   -4.878800      0.4690000      -2.000900    
 H   -5.862500      0.3732000     -0.5373000    
 H   -5.224800       2.572300     -3.3000000E-02
 H   -4.240900       2.589400      -1.499500    
 H    3.699500      -2.662100     -0.2876000    
 H    3.732500      -1.474400      -1.575300    
 H    5.017300      -1.518300     -0.3498000    
 H   -1.056200     -0.8745000      -1.739600    
 H  -0.7999000      -2.010200       2.425100    
 H  -0.2061000      -3.060600      -2.387700    
 H   8.2999997E-02  -4.216000       1.740700    
 H   0.3799000      -4.745700     -0.6647000    


%chk=000072083-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072083

1 1
O 0.276451 1.322828 -0.075216
O -0.256268 1.660406 2.164174
N 3.338411 0.681092 -0.084390
C 2.534868 1.554671 0.932586
C 2.778792 1.067024 -1.490964
C 1.429746 2.240746 0.112097
C 2.059143 2.409353 -1.278248
C -2.647948 0.614721 -0.218936
C 3.093252 -0.822972 0.220067
C 4.820067 1.019265 0.010989
C -1.618212 0.071836 0.813089
C -3.881087 -0.309250 -0.397746
C -3.293055 1.963611 0.199479
C -4.951554 0.600520 -1.068052
C -4.569326 2.072981 -0.684523
C -0.516938 1.090645 1.084318
C 3.791864 -1.785855 -0.744237
C -0.965015 -1.274904 0.453300
C -0.668442 -1.639135 -0.885774
C -0.623698 -2.175513 1.495119
C -0.054573 -2.879187 -1.175021
C -0.004068 -3.414544 1.209624
C 0.283227 -3.771107 -0.128510
H 2.146990 0.918403 1.739804
H 3.220849 2.302611 1.361707
H 2.058019 0.285970 -1.776457
H 3.609143 1.094184 -2.211376
H 1.092223 3.174097 0.590726
H 1.297427 2.587025 -2.052598
H 2.760023 3.263139 -1.279478
H -2.146444 0.754971 -1.197815
H 1.998446 -0.956513 0.189084
H 3.437768 -0.982595 1.257186
H 4.958511 2.085924 -0.224004
H 5.170748 0.815205 1.034810
H 5.386971 0.408787 -0.705558
H -2.141520 -0.039402 1.781791
H -3.662996 -1.217356 -0.985872
H -4.230160 -0.641557 0.600347
H -3.570233 1.918986 1.271656
H -2.616031 2.828863 0.072488
H -4.936705 0.471576 -2.165378
H -5.967987 0.336214 -0.729282
H -5.385193 2.587134 -0.148170
H -4.360830 2.665834 -1.593561
H 3.447130 -2.805533 -0.500386
H 3.520866 -1.603213 -1.798216
H 4.890333 -1.779725 -0.647322
H -0.939871 -0.967783 -1.707251
H -0.862320 -1.915582 2.533858
H 0.136170 -3.162152 -2.216515
H 0.230813 -4.106822 2.025330
H 0.736225 -4.742422 -0.355374


