%chk=000169758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169758

0 1
 O    1.111800      -2.135800      0.3735000    
 O    3.838500      -2.046400      0.1417000    
 O    5.091500      0.2845000     -0.6588000    
 O   -4.855000      -1.136200     -0.7305000    
 O   -4.154300     -0.7245000       1.895700    
 N   0.5456000       1.895600       2.350700    
 C  -0.4728000       2.245900       1.348600    
 C   0.1082000       3.202600      0.2764000    
 C   0.7814000       2.601000     -0.9642000    
 C   -1.228100       1.019600      0.8123000    
 C    1.590400       1.362300     -0.6897000    
 C   0.9449000      0.1724000     -0.2939000    
 C  -0.5390000      0.1489000     -0.1525000    
 C    1.711200     -0.9682000     -6.8999999E-03
 C    2.986400       1.384300     -0.8057000    
 C   -2.452900      0.7851000       1.319900    
 C   -1.154200     -0.6511000      -1.045000    
 C    3.100200     -0.9316000     -0.1273000    
 C    3.736000      0.2415000     -0.5276000    
 C   -3.407400     -0.3058000       1.013300    
 C   -2.561800     -0.8591000      -1.264300    
 C   -3.565400     -0.7685000     -0.3843000    
 C   0.9049000      -2.329500       1.769700    
 C    4.807500      -1.944600       1.182100    
 C    5.629600     -5.2000001E-02  -1.935900    
 C   -5.560100     -3.2800000E-02  -1.259200    
 C   -6.937200     -0.4575000      -1.638200    
 H   -1.190200       2.864300       1.907000    
 H   0.8247000       3.880600      0.7619000    
 H  -0.7003000       3.857700     -7.6899998E-02
 H    1.408700       3.370900      -1.431600    
 H   2.1100000E-02   2.363900      -1.720200    
 H    3.493500       2.297000      -1.109700    
 H   -2.828900       1.443100       2.102800    
 H   0.8268000       2.738400       2.851700    
 H    1.393400       1.557900       1.900500    
 H  -0.5520000      -1.212800      -1.761400    
 H   -2.798200      -1.223400      -2.263600    
 H   0.2798000      -1.535400       2.188900    
 H    1.862000      -2.367900       2.298900    
 H   0.3919000      -3.285000       1.909600    
 H    4.854800      -2.910800       1.693200    
 H    4.543600      -1.180800       1.922100    
 H    5.793900      -1.739000      0.7574000    
 H    5.354700      -1.074500      -2.213700    
 H    6.719400      1.2700000E-02  -1.876100    
 H    5.278100      0.6516000      -2.697100    
 H   -5.622300      0.7706000     -0.5142000    
 H   -5.048600      0.3592000      -2.147400    
 H   -7.510000      0.3779000      -2.051300    
 H   -6.907700      -1.260500      -2.382700    
 H   -7.476600     -0.8537000     -0.7711000    


%chk=000169758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169758

0 1
O 1.076125 -2.032160 0.296282
O 3.864639 -2.039969 0.091653
O 5.219948 0.391887 -0.803679
O -4.870420 -0.894872 -1.048877
O -4.878835 1.075583 1.013590
N 0.678312 1.640007 2.353504
C -0.293026 2.326033 1.465733
C 0.331073 3.398751 0.506401
C 0.879259 2.822185 -0.830599
C -1.170485 1.316132 0.683750
C 1.672859 1.542560 -0.634264
C 0.986349 0.342627 -0.269670
C -0.509457 0.326895 -0.144035
C 1.748870 -0.840926 -0.038556
C 3.074341 1.525359 -0.805172
C -2.545117 1.459507 0.885111
C -1.175900 -0.663624 -0.885056
C 3.166883 -0.838810 -0.159513
C 3.819158 0.346970 -0.598792
C -3.754840 0.754694 0.462912
C -2.556682 -0.930510 -1.078383
C -3.707022 -0.318353 -0.563722
C 1.176941 -2.430917 1.716309
C 4.918484 -1.951165 1.131969
C 5.698805 -0.474778 -1.908331
C -6.222699 -0.249936 -0.975798
C -7.115798 -1.090736 -1.884207
H -0.973921 2.871232 2.143319
H 1.142226 3.907643 1.063233
H -0.434334 4.163139 0.266660
H 1.503462 3.587963 -1.325900
H 0.021605 2.621670 -1.501330
H 3.610100 2.425306 -1.124248
H -2.836969 2.255685 1.586734
H 0.773115 2.077300 3.273509
H 1.578954 1.415331 1.924389
H -0.518871 -1.340171 -1.442768
H -2.782116 -1.753234 -1.769517
H 0.832342 -1.606085 2.368845
H 2.214261 -2.720593 1.964620
H 0.512810 -3.302010 1.821517
H 5.378358 -2.950567 1.161076
H 4.465970 -1.715264 2.114711
H 5.667479 -1.182051 0.875183
H 5.411820 -1.528375 -1.738454
H 6.794101 -0.367322 -1.911719
H 5.281640 -0.123679 -2.870833
H -6.555907 -0.238670 0.072052
H -6.138854 0.795260 -1.322766
H -8.144335 -0.685200 -1.866364
H -6.752686 -1.079739 -2.926436
H -7.150515 -2.137903 -1.537174


