%chk=000026587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026587

0 1
 O    2.252700       2.811900       1.195700    
 O    2.343900       2.947600      -1.071400    
 N  -0.2262000      -1.267300      5.9000002E-03
 N   -5.054000     -0.1087000      5.7000001E-03
 C    1.915400     -0.1626000     -1.7300000E-02
 C    1.119000      -1.326800      2.4000001E-03
 C    1.267400       1.079900     -3.3700000E-02
 C  -0.8127000     -4.8400000E-02 -1.0300000E-02
 C  -0.1185000       1.144300     -3.0200001E-02
 C   -2.256200     -6.9300003E-02 -4.8000002E-03
 C    3.317100     -0.2617000     -2.0199999E-02
 C    1.763100      -2.560700      1.8800000E-02
 C    3.935000      -1.508800     -3.7000000E-03
 C    3.156700      -2.659500      1.5799999E-02
 C   -2.961200     -9.7099997E-02  -1.204600    
 C   -2.952600     -6.1400000E-02   1.200300    
 C    1.993700       2.346200     -5.4600000E-02
 C   -4.345400     -0.1158000      -1.145600    
 C   -4.337200     -8.1699997E-02   1.151800    
 H  -0.6353000       2.099500     -4.2700000E-02
 H    3.951600      0.6209000     -3.5599999E-02
 H    1.175900      -3.477200      3.4299999E-02
 H    5.018300      -1.581800     -6.0999999E-03
 H    3.630400      -3.636800      2.8800000E-02
 H   -2.455900     -0.1046000      -2.165100    
 H   -2.440400     -4.0500000E-02   2.157100    
 H   -4.939700     -0.1378000      -2.053100    
 H   -4.925100     -7.6600000E-02   2.063700    
 H    2.741000       3.662400       1.174900    


%chk=000026587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026587

0 1
O 1.295839 3.395706 -0.845864
O 3.396924 2.454622 -0.647738
N -0.173980 -1.248737 0.328427
N -5.136801 -0.073705 0.150487
C 2.067233 -0.189010 0.018498
C 1.205864 -1.324355 0.317157
C 1.395570 1.060134 -0.272990
C -0.772886 -0.065625 0.048845
C -0.004724 1.105610 -0.254031
C -2.265542 -0.042487 0.075615
C 3.486403 -0.385378 0.035063
C 1.789316 -2.598245 0.618085
C 4.022464 -1.642306 0.332998
C 3.174948 -2.756540 0.626477
C -3.027887 1.110027 -0.253423
C -2.985399 -1.211596 0.441680
C 2.151592 2.309484 -0.592201
C -4.437862 1.045928 -0.202143
C -4.394050 -1.180653 0.464955
H -0.495531 2.054778 -0.471026
H 4.140295 0.459977 -0.187556
H 1.106391 -3.424436 0.836366
H 5.109784 -1.775706 0.341260
H 3.617872 -3.731366 0.856737
H -2.556576 2.051390 -0.550975
H -2.431131 -2.117651 0.698947
H -5.042697 1.924764 -0.453062
H -4.967402 -2.071341 0.745158
H 1.852770 4.194318 -1.049548


