%chk=000060764.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060764

0 1
 O   0.6403000      0.7304000      0.6688000    
 O   -3.844800      -2.391200      0.7135000    
 O   -4.423800       2.094800     -0.8614000    
 O   -5.358000     -0.5035000     -0.6340000    
 N    4.290100       1.338100      0.7163000    
 C    3.021300      0.8871000      0.1096000    
 C    2.708500       1.835600      -1.085600    
 C    1.920900       1.078000       1.187600    
 C    3.067000     -0.5773000     -0.3602000    
 C    2.638700       3.320500     -0.7335000    
 C    5.372300       1.224000     -0.2533000    
 C    4.574700      0.5552000       1.912200    
 C    2.709800      -1.602500      0.5158000    
 C    3.466200     -0.8800000      -1.662100    
 C  -0.3822000      0.9352000       1.632500    
 C    2.751700      -2.930000      8.9800000E-02
 C    3.507900      -2.207600      -2.088100    
 C    3.150700      -3.232500      -1.212200    
 C   -1.703800      0.5540000       1.032900    
 C   -2.463600       1.507900      0.3559000    
 C   -2.171400     -0.7548000       1.150200    
 C   -3.399000      -1.109800      0.5907000    
 C   -3.691000       1.153100     -0.2039000    
 C   -4.158700     -0.1558000     -8.6400002E-02
 C   -3.007300      -3.303800       1.420700    
 C   -3.873600       3.408400     -0.9360000    
 C   -5.342700     -0.9738000      -1.979800    
 H    3.412000       1.759000      -1.918100    
 H    1.739800       1.556300      -1.524400    
 H    1.892800       2.118900       1.534300    
 H    2.059500      0.4776000       2.089500    
 H    1.791100       3.547800     -8.1299998E-02
 H    2.493400       3.904500      -1.649400    
 H    3.555700       3.682900     -0.2609000    
 H    6.291600       1.606100      0.2114000    
 H    5.606700      0.1988000     -0.5555000    
 H    5.257300       1.852800      -1.138900    
 H    4.701900     -0.5179000       1.748200    
 H    5.537500      0.8940000       2.320100    
 H    3.886800      0.7339000       2.741800    
 H    2.405800      -1.434100       1.541900    
 H    3.775300     -0.1341000      -2.383500    
 H  -0.1871000      0.3297000       2.526600    
 H  -0.4003000       1.986600       1.946000    
 H    2.477000      -3.729100      0.7722000    
 H    3.823300      -2.444500      -3.100100    
 H    3.185000      -4.266400      -1.543300    
 H   -2.046800       2.507600      0.2942000    
 H   -1.535300      -1.452800       1.684100    
 H   -2.048600      -3.449800      0.9113000    
 H   -2.883600      -3.009800       2.468600    
 H   -3.516500      -4.273100       1.421500    
 H   -3.770300       3.860200      5.6499999E-02
 H   -2.935600       3.422100      -1.501400    
 H   -4.587600       4.025100      -1.492000    
 H   -4.956200     -0.2023000      -2.653400    
 H   -4.737900      -1.882300      -2.063900    
 H   -6.369600      -1.209700      -2.271900    


%chk=000060764-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060764

0 1
O 0.753298 1.315380 0.254797
O -2.895844 -2.079994 -0.800674
O -5.355379 1.822626 0.456971
O -5.311166 -0.728713 -0.405589
N 4.470882 1.100410 0.656673
C 3.123741 0.771943 0.036573
C 3.036025 1.341796 -1.417762
C 2.059053 1.525198 0.881165
C 2.873362 -0.765205 0.028921
C 3.262664 2.863976 -1.545356
C 5.662926 0.782509 -0.159200
C 4.669370 0.621160 2.046270
C 2.124904 -1.411579 1.050156
C 3.471220 -1.596499 -0.959089
C -0.362193 1.834836 1.051121
C 1.974700 -2.815706 1.084413
C 3.326635 -3.001613 -0.930936
C 2.576018 -3.622986 0.092357
C -1.651449 1.178973 0.587787
C -2.879028 1.862250 0.733002
C -1.621708 -0.131722 0.069701
C -2.829589 -0.770747 -0.293328
C -4.090378 1.223927 0.365580
C -4.081213 -0.105593 -0.148052
C -1.634353 -2.819670 -0.915209
C -5.415785 3.173962 1.013626
C -5.552280 -1.153643 -1.799868
H 3.753486 0.816295 -2.071767
H 2.028474 1.087889 -1.790939
H 2.328220 2.599310 0.906444
H 2.019990 1.165520 1.930335
H 2.409650 3.435727 -1.139337
H 3.365018 3.145109 -2.609836
H 4.173432 3.185773 -1.010142
H 6.551029 1.202468 0.348010
H 5.839419 -0.311638 -0.294886
H 5.599596 1.253076 -1.153086
H 4.715960 -0.489883 2.134959
H 5.622364 1.033720 2.424397
H 3.870617 0.984673 2.712582
H 1.634487 -0.820686 1.829985
H 4.050385 -1.152010 -1.774695
H -0.179479 1.601596 2.127274
H -0.425037 2.940613 0.955533
H 1.389254 -3.277448 1.888405
H 3.800124 -3.609366 -1.710737
H 2.462983 -4.712676 0.116701
H -2.884614 2.886804 1.118828
H -0.652006 -0.618668 -0.052760
H -0.936930 -2.325956 -1.618390
H -1.140842 -2.927757 0.069094
H -1.918350 -3.809487 -1.302433
H -5.027165 3.202723 2.050750
H -4.855061 3.897686 0.389027
H -6.484450 3.434759 1.011603
H -5.505321 -0.283488 -2.482946
H -4.821474 -1.921060 -2.108171
H -6.570893 -1.571190 -1.797652


