%chk=000226765.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226765

0 1
 O    1.647200      -2.576100      6.1500002E-02
 O   -1.727100     -1.2700000E-02  -1.811900    
 O   -3.173400     -0.2725000      0.6506000    
 O    2.004000      -1.659400      -2.018300    
 O   0.3609000      0.4862000      -2.646600    
 O   -1.884900      -1.401500       2.194400    
 N  -0.6873000       1.972400       3.360900    
 C   0.3091000     -1.1700000E-02  0.6238000    
 C   0.1278000     -0.9055000     -0.6464000    
 C   -1.030700      0.6109000       1.124100    
 C    1.433700       1.011100      0.4383000    
 C    1.363200      -1.738400     -0.9782000    
 C  -0.3603000     -6.0400002E-02  -1.822900    
 C   -2.053500     -0.4825000       1.402100    
 C    1.099900       2.301100      9.7400002E-02
 C    2.733400      0.5992000      0.6193000    
 C  -0.8367000       1.372900       2.378400    
 C    2.124400       3.232500     -7.1800001E-02
 C    3.757900       1.530700      0.4502000    
 C    3.453400       2.847100      0.1046000    
 C    2.792900      -3.415100     -0.1130000    
 C   -2.326600      0.7480000      -2.865300    
 C   -4.223800      -1.227800      0.8273000    
 C    2.966800      -4.275300       1.120500    
 C   -2.485700       2.182600      -2.408700    
 C   -5.384800     -0.8556000     -7.0100002E-02
 H   0.6465000     -0.6760000       1.435700    
 H  -0.6512000      -1.660800     -0.4697000    
 H   -1.458400       1.288500      0.3784000    
 H   8.5900001E-02   2.637600     -7.8900002E-02
 H    2.987000     -0.4135000      0.9116000    
 H    1.888300       4.256100     -0.3476000    
 H    4.792400       1.232000      0.5924000    
 H    4.251100       3.572200     -2.7600000E-02
 H    2.647500      -4.053400     -0.9916000    
 H    3.683000      -2.792900     -0.2590000    
 H   -1.753300      0.6807000      -3.796700    
 H   -3.310900      0.3099000      -3.059800    
 H   -4.548600      -1.224300       1.873700    
 H   -3.857000      -2.225900      0.5630000    
 H    3.836200      -4.931000       1.020900    
 H    3.095100      -3.650100       2.010400    
 H    2.077000      -4.890400       1.289900    
 H   -1.512800       2.639300      -2.201700    
 H   -3.065100       2.230900      -1.480700    
 H   -2.994500       2.778200      -3.171800    
 H   -6.208200      -1.566800      3.9900001E-02
 H   -5.749900      0.1487000      0.1688000    
 H   -5.070100     -0.8377000      -1.118800    


%chk=000226765-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226765

0 1
O 1.858483 -2.310181 -0.364460
O -0.996193 -0.812412 -2.834440
O -3.457810 0.540638 1.252593
O 2.021017 -0.886385 -2.203551
O -0.900218 1.252489 -1.770233
O -2.325664 -1.488162 1.090984
N -0.773363 1.636245 3.630283
C 0.229480 -0.098211 0.703140
C 0.038684 -0.798214 -0.694640
C -1.062919 0.662428 1.161796
C 1.464181 0.806886 0.797733
C 1.396804 -1.303867 -1.206575
C -0.646948 0.022932 -1.788410
C -2.320937 -0.238284 1.160063
C 1.576161 2.018779 0.067484
C 2.529071 0.425277 1.652685
C -0.897567 1.208966 2.523819
C 2.727753 2.825449 0.194888
C 3.681708 1.231983 1.780563
C 3.784573 2.437435 1.050261
C 3.225174 -2.844404 -0.670980
C -1.628436 -0.174183 -4.034280
C -4.768843 -0.188840 1.333662
C 3.510029 -3.935645 0.354628
C -3.147957 -0.100177 -3.864937
C -5.846734 0.873678 1.510166
H 0.374381 -0.937122 1.407124
H -0.594088 -1.688861 -0.522686
H -1.259072 1.505464 0.472768
H 0.769986 2.324472 -0.607165
H 2.448793 -0.505796 2.227124
H 2.800341 3.757781 -0.376251
H 4.490765 0.924877 2.452820
H 4.675260 3.068069 1.148963
H 3.220611 -3.223830 -1.708486
H 3.937731 -2.002071 -0.610569
H -1.184433 0.827012 -4.169671
H -1.331769 -0.838149 -4.861032
H -4.715009 -0.891252 2.184346
H -4.889826 -0.773476 0.403844
H 4.510544 -4.367742 0.170647
H 3.491542 -3.529472 1.380456
H 2.763980 -4.745539 0.286814
H -3.418874 0.578846 -3.038922
H -3.570904 -1.099598 -3.664392
H -3.605377 0.288252 -4.793718
H -6.838208 0.389931 1.576276
H -5.679569 1.452874 2.433681
H -5.856534 1.572610 0.656787


