%chk=000061465.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061465

0 1
 O    6.174700       1.113900      0.3405000    
 O   -2.388400       1.855200      -1.323600    
 N  -0.6565000     -0.1932000      -1.911600    
 C    1.884500      -1.270700     -0.4567000    
 C   0.4804000      -1.051100      0.1104000    
 C   4.9899999E-02  0.2006000     -0.6954000    
 C    1.655600      -1.465900      -2.033700    
 C    2.471600      -2.557200      0.1724000    
 C   0.4106000      -1.022800       1.648600    
 C    2.694000      4.2900000E-02 -0.1028000    
 C   0.4749000       1.461700      4.3699998E-02
 C   0.1202000      -1.346300      -2.509300    
 C    2.416800      -2.561200       1.704100    
 C    1.003000      -2.308900       2.225700    
 C    2.020500       1.297800      0.2033000    
 C   -2.057200     -0.5082000      -1.686700    
 C    4.094200      2.1000000E-02 -7.0500001E-02
 C    2.764500       2.419700      0.5835000    
 C    4.813100       1.160500      0.3014000    
 C    4.154500       2.344800      0.6367000    
 C   -2.748400      0.7036000      -1.088500    
 C   -3.911400      0.4808000     -0.1787000    
 C   -4.697300     -0.6310000     -0.3753000    
 C   -4.150400       1.396000      0.8204000    
 C   -5.783600     -0.8393000      0.4746000    
 C   -5.236600       1.187400       1.670300    
 C   -6.053100      6.9700003E-02   1.497300    
 H  -0.1522000      -1.913400     -0.1433000    
 H   0.8219000      0.4853000      -1.425300    
 H    2.020600      -2.450800      -2.349400    
 H    2.249700     -0.7284000      -2.589700    
 H    3.500500      -2.732100     -0.1593000    
 H    1.895300      -3.422800     -0.1833000    
 H  -0.6351000     -0.9260000       1.964200    
 H   0.9477000     -0.1797000       2.091600    
 H  -2.0500001E-02   1.577500       1.011900    
 H   0.2647000       2.356700     -0.5556000    
 H   0.1014000      -1.243800      -3.600300    
 H  -0.3693000      -2.300900      -2.274800    
 H    3.096700      -1.802300       2.107800    
 H    2.772300      -3.529100       2.076200    
 H   0.3606000      -3.157900       1.961000    
 H    1.017000      -2.250800       3.319900    
 H   -2.549600     -0.7342000      -2.639100    
 H   -2.164000      -1.369900      -1.019500    
 H    4.643500     -0.8798000     -0.3276000    
 H    2.268400       3.357700      0.8173000    
 H    4.719600       3.227000      0.9269000    
 H    6.512800       1.982900      0.6169000    
 H   -4.520600      -1.343100      -1.174700    
 H   -3.519200       2.266600      0.9698000    
 H   -6.422100      -1.707200      0.3376000    
 H   -5.445900       1.894400       2.467800    
 H   -6.899300     -9.2100002E-02   2.158700    


%chk=000061465-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061465

0 1
O 6.467565 0.946443 -0.220676
O -2.319646 1.775392 -0.002819
N -0.775593 -0.092773 -1.442723
C 2.018273 -1.275731 -0.473976
C 0.723412 -1.034962 0.328850
C 0.285606 0.253380 -0.459358
C 1.474930 -1.405043 -1.996046
C 2.739105 -2.568459 -0.010458
C 0.913581 -1.054423 1.860479
C 2.862017 0.039804 -0.187518
C 0.704460 1.491626 0.334818
C -0.104941 -1.269480 -2.192065
C 2.928850 -2.606748 1.527364
C 1.586866 -2.391600 2.273414
C 2.257688 1.276576 0.302917
C -2.117650 -0.457489 -0.980222
C 4.264570 -0.000829 -0.341402
C 3.103953 2.357695 0.628701
C 5.080437 1.106343 -0.018492
C 4.508475 2.293201 0.485666
C -2.887686 0.691516 -0.316441
C -4.349706 0.477039 -0.017379
C -5.022838 -0.747516 -0.280752
C -5.079803 1.556068 0.551727
C -6.395056 -0.886231 0.017881
C -6.450306 1.418457 0.846532
C -7.112631 0.195455 0.580378
H 0.014413 -1.860624 0.113292
H 1.047009 0.400958 -1.236729
H 1.740374 -2.410133 -2.381917
H 1.995860 -0.678564 -2.647342
H 3.709070 -2.710218 -0.525801
H 2.101948 -3.427078 -0.310582
H -0.065884 -0.946878 2.367324
H 1.547249 -0.217161 2.203914
H 0.300260 1.553319 1.360490
H 0.444151 2.429936 -0.185771
H -0.313739 -1.161996 -3.274272
H -0.567535 -2.228330 -1.864744
H 3.645678 -1.819389 1.831626
H 3.374005 -3.576971 1.822446
H 0.903164 -3.236372 2.043403
H 1.757010 -2.407512 3.367541
H -2.704198 -0.810248 -1.851552
H -2.120988 -1.311821 -0.245049
H 4.762810 -0.903850 -0.706532
H 2.648993 3.288749 0.987811
H 5.134624 3.156387 0.746499
H 6.952637 1.770480 0.032759
H -4.484040 -1.597369 -0.712826
H -4.543705 2.490453 0.749001
H -6.905519 -1.833798 -0.186440
H -7.003946 2.257763 1.281448
H -8.178633 0.086156 0.809398


