%chk=000045537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045537

0 1
 O    2.563800       1.150800      6.2600002E-02
 O    2.221400      -1.583900      0.4064000    
 N   -3.689300     -0.2095000     -0.3777000    
 C   -2.284600       1.798300     -0.2118000    
 C   -3.600800       1.134600      0.2062000    
 C   -1.090000      0.9006000     -2.0500001E-02
 C   -2.650600      -1.083100      0.1960000    
 C   -1.263500     -0.4860000      0.1302000    
 C   0.2034000       1.438000     -5.2000001E-02
 C  -0.1403000      -1.309700      0.2846000    
 C   -5.016100     -0.7844000     -0.1586000    
 C    1.314800      0.6078000      9.0999998E-02
 C    1.143100     -0.7641000      0.2615000    
 C    2.652700       2.563100     -0.1157000    
 C    2.086400      -2.922400     -6.7500003E-02
 C    4.110600       2.970700     -0.1048000    
 C    3.439000      -3.420700     -0.5296000    
 H   -2.155300       2.719400      0.3689000    
 H   -2.335800       2.075300      -1.272600    
 H   -3.672700       1.089800       1.301500    
 H   -4.426700       1.764300     -0.1471000    
 H   -2.648200      -2.028900     -0.3603000    
 H   -2.869300      -1.308800       1.248500    
 H   0.2708000       2.511500     -0.1938000    
 H  -0.3080000      -2.370200      0.4525000    
 H   -5.785600     -0.1653000     -0.6331000    
 H   -5.257300     -0.8779000      0.9064000    
 H   -5.085400      -1.777100     -0.6171000    
 H    2.227800       2.856900      -1.083200    
 H    2.153200       3.088700      0.7072000    
 H    1.715500      -3.556300      0.7453000    
 H    1.405800      -2.988000     -0.9258000    
 H    4.216900       4.050900     -0.2393000    
 H    4.584200       2.684200      0.8401000    
 H    4.659800       2.459700     -0.9025000    
 H    3.374700      -4.451000     -0.8907000    
 H    3.829200      -2.788000      -1.333800    
 H    4.165500      -3.378400      0.2887000    


%chk=000045537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045537

0 1
O 2.576641 1.181426 -0.132792
O 2.296266 -1.459427 -0.128709
N -3.823481 -0.163760 -0.300868
C -2.425747 1.858212 -0.072996
C -3.672719 1.112365 0.435708
C -1.199156 0.956891 -0.072891
C -2.719717 -1.102039 -0.001690
C -1.345448 -0.446036 -0.065649
C 0.105582 1.518189 -0.095006
C -0.189443 -1.270034 -0.080390
C -5.139427 -0.794926 -0.104781
C 1.257406 0.706831 -0.112230
C 1.106342 -0.717800 -0.106226
C 2.769772 2.642302 -0.138348
C 2.178264 -2.928024 -0.126693
C 4.276847 2.884338 -0.161041
C 3.600648 -3.481503 -0.159171
H -2.244705 2.755497 0.551050
H -2.628278 2.211185 -1.103645
H -3.591211 0.944531 1.542157
H -4.577313 1.723507 0.260000
H -2.770550 -1.937831 -0.727378
H -2.848716 -1.559905 1.018919
H 0.204393 2.608857 -0.097411
H -0.318951 -2.357775 -0.074769
H -5.938627 -0.094230 -0.405158
H -5.329783 -1.106257 0.955252
H -5.219016 -1.695952 -0.740420
H 2.277810 3.079275 -1.032638
H 2.304758 3.082385 0.768838
H 1.638550 -3.256873 0.786345
H 1.598012 -3.255822 -1.014887
H 4.488943 3.969235 -0.165945
H 4.754579 2.435664 0.726466
H 4.728076 2.432829 -1.060861
H 3.580210 -4.586742 -0.156550
H 4.128069 -3.140549 -1.066183
H 4.170221 -3.137132 0.720691


