%chk=000056473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056473

0 1
 O   -4.005900      2.4900001E-02  0.5150000    
 O    2.661200      0.5880000       1.431400    
 O    1.285800      -3.242200      0.5137000    
 N    1.387200      -1.001000     -0.2711000    
 N    3.657100       1.922900     -0.1825000    
 C  -3.4299999E-02 -0.7309000     -6.3199997E-02
 C    2.187900      4.8700001E-02 -0.8538000    
 C   -4.612700      0.9972000     -0.3350000    
 C   -2.682400     -0.2268000      0.3220000    
 C  -0.9025000      -1.770700     -0.2123000    
 C  -0.3928000      0.5423000      0.2645000    
 C    2.847100      0.8642000      0.2431000    
 C   -2.259000      -1.512500     -1.5100000E-02
 C   -1.749300      0.8004000      0.4620000    
 C    1.903300      -2.296100      1.8200001E-02
 C   -5.721200      0.3363000      -1.140000    
 C   -5.136000       2.146700      0.5129000    
 C    3.346300      -2.521300     -0.3717000    
 C    4.357500       2.798500      0.7542000    
 C    3.862800       2.231500      -1.592300    
 H    1.567400      0.6888000      -1.490500    
 H    2.961600     -0.3742000      -1.498100    
 H   -3.888200       1.403900      -1.053700    
 H  -0.6338000      -2.763800     -0.5486000    
 H   0.2976000       1.365500      0.3943000    
 H   -2.983900      -2.312100     -0.1425000    
 H   -2.059900       1.804600      0.7358000    
 H   -6.213000       1.052300      -1.805500    
 H   -5.317900     -0.4828000      -1.745200    
 H   -6.475700     -0.1037000     -0.4785000    
 H   -5.613000       2.912500     -0.1065000    
 H   -4.325200       2.614800       1.080000    
 H   -5.865200       1.787800       1.247800    
 H    3.996700      -1.764400      7.2499998E-02
 H    3.445400      -2.526000      -1.460300    
 H    3.672800      -3.497000      2.7000001E-03
 H    4.015400       3.825900      0.6001000    
 H    5.432600       2.730400      0.5647000    
 H    4.157100       2.506100       1.788100    
 H    4.320600       1.370700      -2.087300    
 H    4.518700       3.099400      -1.708000    
 H    2.898800       2.449800      -2.059900    


%chk=000056473-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056473

0 1
O -4.124866 -0.074739 -0.736424
O 2.646421 0.966559 1.335617
O 1.104592 -2.995638 1.152839
N 1.439236 -1.101498 -0.172991
N 3.733485 1.902921 -0.499033
C 0.018496 -0.825343 -0.266082
C 2.354572 -0.165091 -0.837092
C -4.773084 1.201793 -0.323875
C -2.746755 -0.247451 -0.531099
C -0.878691 -1.820266 -0.731208
C -0.482356 0.448520 0.082811
C 2.916547 0.946863 0.095890
C -2.248065 -1.534848 -0.858483
C -1.856680 0.747870 -0.054537
C 1.902317 -2.187939 0.595380
C -6.096413 1.237005 -1.095200
C -4.965080 1.231701 1.202943
C 3.417388 -2.351258 0.715426
C 4.283110 2.990162 0.331957
C 4.068249 1.968238 -1.930525
H 1.806096 0.300205 -1.675467
H 3.203664 -0.721863 -1.276111
H -4.130177 2.045436 -0.652151
H -0.500977 -2.816849 -0.973444
H 0.196349 1.196759 0.504703
H -2.953025 -2.292620 -1.213498
H -2.212155 1.742092 0.231056
H -6.654717 2.160676 -0.857996
H -5.913965 1.202584 -2.182753
H -6.720612 0.368476 -0.821000
H -5.429578 2.186361 1.511953
H -4.006143 1.124345 1.737986
H -5.626758 0.404581 1.514885
H 3.881802 -1.454484 1.161443
H 3.895571 -2.550194 -0.262603
H 3.601129 -3.213622 1.372568
H 3.924515 3.973937 -0.027664
H 5.389234 2.982277 0.298527
H 3.947179 2.836552 1.368333
H 3.744123 1.066162 -2.467605
H 5.163689 2.063247 -2.057127
H 3.591332 2.846979 -2.408951


