%chk=000116473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116473

1 1
 O    6.429000     -0.2786000      2.2000000E-03
 O   -6.430200     -0.2754000     -2.6000000E-03
 N  -3.9999999E-04  0.7191000      5.0000002E-04
 N  -1.0000000E-03  -2.011700      6.0000003E-04
 N    4.802900      -1.985600     -8.9999998E-04
 N   -4.805000      -1.983300      3.9999999E-04
 C    1.179100      7.3899999E-02  3.0000001E-04
 C   -1.180200      7.4400000E-02  3.9999999E-04
 C    1.160500      -1.332500      3.0000001E-04
 C   -1.162200      -1.331900      6.0000003E-04
 C   1.9999999E-04   2.159800      5.0000002E-04
 C    2.382100      0.7882000       0.000000    
 C   -2.382900      0.7894000      1.9999999E-04
 C    2.385000      -1.994200     -1.9999999E-04
 C   -2.387000      -1.993100      5.0000002E-04
 C    3.593100      -1.290200     -6.0000003E-04
 C   -3.594800      -1.288600      9.9999997E-05
 C    3.591600      0.1014000     -5.0000002E-04
 C   -3.592700      0.1032000     -1.9999999E-04
 C   3.9999999E-04   2.817400      -1.207700    
 C   2.7999999E-03   2.818500       1.208200    
 C   3.0000000E-03   4.212300      -1.208300    
 C   5.4000001E-03   4.213300       1.207600    
 C   5.5000000E-03   4.910300     -6.0000003E-04
 C    6.102100      -1.460900     -1.0000000E-03
 C   -6.103900      -1.458000      6.0000003E-04
 C    7.145000      -2.550500     -1.2000001E-03
 C   -7.147300      -2.546900      8.9999998E-04
 H    2.440600       1.871500     -9.9999997E-05
 H   -2.440600       1.872700      1.9999999E-04
 H    2.397200      -3.083400     -1.9999999E-04
 H   -2.399700      -3.082200      6.9999998E-04
 H    4.482800      0.7128000     -1.1000000E-03
 H   -4.483600      0.7151000     -1.9999999E-04
 H  -1.2000001E-03   2.276500      -2.148800    
 H   3.0000000E-03   2.278300       2.149800    
 H    4.721000      -3.000200     -1.1000000E-03
 H   -4.723600      -2.998000      8.9999998E-04
 H   3.3000000E-03   4.754800      -2.149100    
 H   7.4999998E-03   4.756600       2.148000    
 H   7.6000001E-03   5.996400     -1.1000000E-03
 H    7.048500      -3.154100      0.9056000    
 H    8.144200      -2.107200     -2.8999999E-02
 H    7.015700      -3.187800     -0.8805000    
 H   -7.051800      -3.150100     -0.9062000    
 H   -8.146300      -2.103100      2.9400000E-02
 H   -7.018000      -3.184800      0.8798000    


%chk=000116473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116473

1 1
O 6.463068 -0.406113 -0.003465
O -6.463014 -0.401085 0.003457
N 0.000509 0.860272 -0.000120
N -0.000593 -1.986475 0.000065
N 4.823657 -2.090668 -0.002438
N -4.824927 -2.086926 0.002604
C 1.212499 0.178734 -0.000603
C -1.212010 0.179673 0.000452
C 1.174998 -1.283633 -0.000525
C -1.175638 -1.282724 0.000563
C 0.001083 2.333134 -0.000211
C 2.470924 0.845267 -0.001191
C -2.469918 0.847182 0.000956
C 2.403208 -2.006684 -0.001054
C -2.404410 -2.004824 0.001208
C 3.636446 -1.337662 -0.001680
C -3.637127 -1.334843 0.001753
C 3.653818 0.112822 -0.001728
C -3.653379 0.115655 0.001593
C 0.000955 3.016993 -1.234632
C 0.001752 3.017145 1.234125
C 0.001499 4.430303 -1.226968
C 0.002287 4.430455 1.226288
C 0.002161 5.135410 -0.000383
C 6.167829 -1.629612 -0.002656
C -6.168736 -1.624816 0.002783
C 7.195503 -2.749497 0.000525
C -7.197298 -2.743884 -0.000370
H 2.514565 1.936841 -0.001244
H -2.512710 1.938788 0.000863
H 2.331163 -3.098959 -0.000980
H -2.333212 -3.097154 0.001280
H 4.622956 0.616996 -0.002276
H -4.622128 0.620575 0.002074
H 0.000443 2.460825 -2.177799
H 0.001836 2.461094 2.177361
H 4.706793 -3.108167 -0.002335
H -4.708854 -3.104515 0.002605
H 0.001399 4.975762 -2.175607
H 0.002797 4.976029 2.174860
H 0.002572 6.229818 -0.000451
H 7.109787 -3.369329 0.912233
H 8.200583 -2.306609 -0.028310
H 7.075140 -3.411766 -0.876582
H -7.112500 -3.363355 -0.912412
H -8.202011 -2.300206 0.029108
H -7.077066 -3.406664 0.876366


