%chk=000073856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073856

0 1
 O    2.314700      0.5400000     -0.2010000    
 O  -0.2626000      -1.734500      0.2119000    
 O    3.636400       1.012800       1.623700    
 O  -0.3783000      -3.434600      -1.336000    
 N    4.555100      0.3504000     -0.3773000    
 N  -0.3531000      -3.873800      0.9208000    
 C  -0.1544000      0.6691000     -0.2705000    
 C   -1.372400      0.9128000      0.6743000    
 C  -0.1158000       1.662900      -1.471100    
 C    1.149900      0.8414000      0.5594000    
 C  -0.2372000     -0.7744000     -0.8381000    
 C   -2.756500      0.8270000      1.5200000E-02
 C  -2.0600000E-02   3.141500      -1.111100    
 C   -3.903300       1.125100      0.9871000    
 C   -5.276000       1.113600      0.3324000    
 C    3.509100      0.6660000      0.4542000    
 C  -0.3350000      -3.045300     -0.1738000    
 H   -1.340500      0.1966000       1.506100    
 H   -1.271500       1.900400       1.142300    
 H   0.7378000       1.419500      -2.117500    
 H   -1.002200       1.517200      -2.100100    
 H    1.225300       1.858700      0.9604000    
 H    1.120400      0.1613000       1.421100    
 H   0.6348000     -0.9736000      -1.474300    
 H   -1.128100     -0.8949000      -1.465400    
 H   -2.818600       1.539700     -0.8139000    
 H   -2.914800     -0.1720000     -0.4043000    
 H  -0.8547000       3.460900     -0.4810000    
 H   0.9175000       3.379500     -0.6029000    
 H  -5.2600000E-02   3.743800      -2.025600    
 H   -3.743000       2.107800       1.446600    
 H   -3.889900      0.3887000       1.799400    
 H   -5.488700      0.1350000     -0.1095000    
 H   -6.052500       1.330200       1.072500    
 H   -5.337600       1.868200     -0.4580000    
 H    5.516300      0.3895000     -5.5500001E-02
 H    4.398600      6.8400003E-02  -1.339100    
 H  -0.4048000      -4.881800      0.8198000    
 H  -0.3155000      -3.503100       1.864300    


%chk=000073856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073856

0 1
O 2.308382 0.634071 -0.240007
O -0.256920 -1.699852 0.248576
O 3.630942 0.562044 1.713055
O -0.266395 -3.458164 -1.323678
N 4.546909 0.286212 -0.432227
N -0.283358 -3.847253 0.993473
C -0.151723 0.698642 -0.279124
C -1.378265 0.958805 0.654761
C -0.104480 1.679719 -1.495143
C 1.105636 0.844665 0.607450
C -0.194846 -0.727269 -0.873406
C -2.770556 0.890041 -0.012471
C -0.079703 3.182226 -1.141258
C -3.912086 1.156318 0.997043
C -5.312289 1.081479 0.351434
C 3.519549 0.497060 0.463657
C -0.267321 -3.053611 -0.134462
H -1.347476 0.219605 1.479383
H -1.260312 1.956464 1.125014
H 0.795110 1.440313 -2.093756
H -0.978190 1.476945 -2.145358
H 1.167656 1.850808 1.060119
H 1.107159 0.093941 1.416177
H 0.711538 -0.933146 -1.469074
H -1.079578 -0.873134 -1.518260
H -2.842829 1.629512 -0.835409
H -2.926972 -0.107929 -0.468402
H -0.980157 3.491994 -0.580564
H 0.806875 3.446870 -0.537505
H -0.039591 3.788358 -2.064683
H -3.766886 2.155506 1.456768
H -3.843288 0.420796 1.824250
H -5.493833 0.081433 -0.085634
H -6.110828 1.277363 1.090383
H -5.414622 1.825108 -0.461597
H 5.488535 0.165710 -0.071076
H 4.361584 0.234648 -1.430675
H -0.292087 -4.856209 0.877190
H -0.259586 -3.430086 1.920539


