%chk=000176834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176834

0 1
 O   -1.312800      3.1700000E-02 -0.1505000    
 O    1.324400      -2.304600     -0.4979000    
 O    1.386100       2.304400     -0.6601000    
 O   -3.078700     -8.3999999E-02  -1.614300    
 N   0.9498000     -1.0000000E-03 -0.7384000    
 N   -3.397800      4.0500000E-02  0.6804000    
 C    2.962800     -0.6670000      6.2500000E-02
 C    2.981300      0.6674000      9.9999998E-03
 C    4.095100      -1.513100      0.5149000    
 C    4.125300       1.515500      0.4283000    
 C    5.392400     -0.6927000      0.6122000    
 C    5.157800      0.6973000       1.222100    
 C    1.656800      -1.134300     -0.4201000    
 C    1.685300       1.133400     -0.5016000    
 C   -4.842200      1.5000000E-02  0.6915000    
 C  -0.4045000     -1.5699999E-02  -1.254400    
 C   -5.338800      6.9799997E-02   2.140800    
 C   -5.370600       1.226300     -8.4100001E-02
 C   -5.331200      -1.278500      2.9700000E-02
 C   -2.640500     -1.0300000E-02 -0.4710000    
 H    3.853800      -1.934200       1.497900    
 H    4.249400      -2.352200     -0.1723000    
 H    4.601000       1.936800     -0.4651000    
 H    3.780300       2.354400       1.042700    
 H    6.129100      -1.242800       1.208700    
 H    5.822200     -0.5732000     -0.3909000    
 H    6.103600       1.248900       1.269200    
 H    4.808700      0.5779000       2.256000    
 H  -0.5623000     -0.9389000      -1.822300    
 H  -0.5546000      0.8652000      -1.887600    
 H   -2.901900      0.1025000       1.564900    
 H   -4.993700      0.9814000       2.642600    
 H   -6.433200      5.3399999E-02   2.189700    
 H   -4.963300     -0.7819000       2.720000    
 H   -5.123800       1.192700      -1.149600    
 H   -4.961300       2.161000      0.3173000    
 H   -6.463000       1.286500     -1.3700000E-02
 H   -4.885200      -2.159100      0.5070000    
 H   -6.420300      -1.371300      0.1160000    
 H   -5.094700      -1.329800      -1.037400    


%chk=000176834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176834

0 1
O -1.376130 1.127690 -0.420712
O 0.628307 -1.715623 -0.797766
O 1.862200 2.824787 -0.796191
O -2.866150 -0.242552 -1.656996
N 0.900941 0.648608 -0.969750
N -3.333454 0.493071 0.537512
C 2.673707 -0.543019 -0.004601
C 3.035947 0.776368 -0.008196
C 3.530644 -1.665905 0.504206
C 4.338701 1.310433 0.513515
C 4.992056 -1.173179 0.686971
C 5.053004 0.223264 1.361840
C 1.304635 -0.676356 -0.611871
C 1.922806 1.585088 -0.611749
C -4.679875 -0.130285 0.735154
C -0.385000 1.010457 -1.516663
C -5.137630 0.274767 2.156794
C -5.672775 0.415329 -0.324094
C -4.563309 -1.673212 0.626141
C -2.583937 0.380222 -0.601846
H 3.121308 -2.033397 1.467828
H 3.480387 -2.528709 -0.186734
H 4.977333 1.620029 -0.339323
H 4.166264 2.230724 1.103349
H 5.559803 -1.907473 1.287332
H 5.483029 -1.117474 -0.304810
H 6.105616 0.515603 1.530577
H 4.570105 0.164215 2.357427
H -0.742562 0.246803 -2.228654
H -0.291630 2.003522 -1.983941
H -2.925792 1.038761 1.298763
H -5.216776 1.374055 2.253505
H -6.131260 -0.156452 2.366028
H -4.435910 -0.101223 2.925136
H -5.326012 0.165623 -1.340496
H -5.766947 1.513323 -0.241649
H -6.670767 -0.034042 -0.172352
H -3.864728 -2.065839 1.386901
H -5.552608 -2.139573 0.784153
H -4.192742 -1.961029 -0.371637


