%chk=000042659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042659

0 1
 O  -5.6299999E-02  -1.646800      -1.698900    
 O   -4.242900       1.888500      0.4425000    
 O   -5.673200     -0.4531000      0.8835000    
 N    4.952000      -1.331500      0.1688000    
 N   0.4115000      0.3756000     -0.6663000    
 C    2.726100     -0.2526000     -0.1036000    
 C    2.939300      0.5642000       1.190300    
 C    1.790500      0.4680000      -1.099300    
 C    3.345800       2.018400      0.9014000    
 C    3.960400     -0.1412000       2.093800    
 C    4.074600     -0.6114000     -0.7655000    
 C    2.176400       1.932000      -1.333400    
 C    2.352900       2.705900     -2.9600000E-02
 C    5.245400     -0.5210000       1.356400    
 C    6.191900      -1.730900     -0.4968000    
 C  -0.4017000     -0.6904000      -1.010200    
 C   -1.798900     -0.6238000     -0.5094000    
 C   -2.362800      0.6123000     -0.2700000    
 C   -2.487500      -1.800400     -0.2981000    
 C   -3.674000      0.6745000      0.2018000    
 C   -3.798500      -1.738300      0.1737000    
 C   -4.391900     -0.5008000      0.4234000    
 C   -4.942100       2.502500     -0.6383000    
 C   -6.336900      -1.699500       1.083600    
 H    2.253300      -1.204300      0.1829000    
 H    1.986500      0.5975000       1.736500    
 H    1.847800     -4.6999998E-02  -2.067000    
 H    4.344300       2.064800      0.4524000    
 H    3.401700       2.579100       1.842400    
 H    3.501600      -1.054300       2.496200    
 H    4.203600      0.4892000       2.957300    
 H    3.869400      -1.255100      -1.630600    
 H    4.575400      0.2866000      -1.147900    
 H    1.417300       2.430500      -1.948800    
 H    3.114200       1.975700      -1.900500    
 H    1.387700       2.817300      0.4783000    
 H    2.705600       3.719300     -0.2537000    
 H    5.809300      0.3813000       1.088900    
 H    5.873400      -1.095900       2.048200    
 H   8.7200001E-02   1.070100     -2.3000001E-03
 H    6.767400     -0.8686000     -0.8526000    
 H    5.977500      -2.379800      -1.353300    
 H    6.824800      -2.311000      0.1841000    
 H   -1.842700       1.545700     -0.4624000    
 H   -2.036400      -2.770900     -0.4829000    
 H   -4.294600      -2.690900      0.3241000    
 H   -5.774100       1.871900     -0.9672000    
 H   -4.262400       2.694600      -1.474600    
 H   -5.344100       3.457200     -0.2881000    
 H   -5.844600      -2.299400       1.856600    
 H   -6.457400      -2.248100      0.1433000    
 H   -7.343600      -1.473100       1.450500    


%chk=000042659-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042659

0 1
O 0.171681 -1.700697 -1.618895
O -4.239175 2.000995 0.365611
O -5.735007 -0.388401 0.768447
N 5.026881 -1.351435 0.248763
N 0.519613 0.455282 -0.827176
C 2.834458 -0.236758 -0.168992
C 2.975083 0.595200 1.139071
C 1.944455 0.485637 -1.227774
C 3.428813 2.053636 0.860125
C 3.915412 -0.149503 2.121840
C 4.215906 -0.616441 -0.751043
C 2.382626 1.951422 -1.466817
C 2.492132 2.759076 -0.149390
C 5.256554 -0.543686 1.469135
C 6.281821 -1.869060 -0.326094
C -0.283368 -0.647698 -1.061068
C -1.716690 -0.545502 -0.609900
C -2.374107 0.686021 -0.356623
C -2.443773 -1.747765 -0.449169
C -3.713770 0.729668 0.076624
C -3.780924 -1.725288 -0.007282
C -4.424690 -0.496288 0.277950
C -5.546708 2.360744 -0.223149
C -6.459416 -1.632458 1.049797
H 2.335092 -1.192836 0.078550
H 1.969596 0.653076 1.610034
H 2.005280 -0.087789 -2.172774
H 4.462420 2.066072 0.461489
H 3.453190 2.617330 1.813819
H 3.417857 -1.076146 2.466610
H 4.110730 0.479596 3.013353
H 4.065875 -1.277309 -1.626450
H 4.760088 0.295700 -1.115688
H 1.676856 2.435774 -2.168917
H 3.372617 1.944095 -1.961664
H 1.488996 2.890271 0.311914
H 2.859984 3.779777 -0.368588
H 5.862081 0.374967 1.243364
H 5.850486 -1.150400 2.178917
H 0.154607 1.238841 -0.284894
H 6.976106 -1.061990 -0.678055
H 6.055009 -2.522439 -1.187667
H 6.817380 -2.472186 0.429356
H -1.888006 1.654404 -0.519292
H -1.938463 -2.691241 -0.677057
H -4.314243 -2.670799 0.128435
H -6.346336 1.706202 0.159019
H -5.501110 2.299240 -1.327871
H -5.716059 3.403460 0.085860
H -5.924594 -2.242656 1.802208
H -6.614273 -2.225910 0.128355
H -7.430770 -1.311204 1.453244


