%chk=000170779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170779

1 1
 O   -2.202700       2.603500      0.4909000    
 O    2.449400       3.260200      0.4181000    
 N   -1.702400      -2.329100      0.3123000    
 N    1.344700       1.209500      0.3822000    
 C   0.3922000      -1.030700      0.3171000    
 C  -0.5073000      -1.872800     -0.6080000    
 C   5.7999998E-02  0.4931000      0.3734000    
 C  -0.7006000       1.097800     -0.8178000    
 C   -1.778600      0.1550000      -1.374700    
 C   -1.049000      -1.124600      -1.822900    
 C   0.1926000      -1.709200       1.679000    
 C   -1.297900      -1.957100       1.752400    
 C   -3.035500      -1.647000     -6.2500000E-02
 C    1.868400     -0.9937000     -2.2000000E-03
 C   -2.879900     -0.1892000     -0.3952000    
 C   -1.103200       2.540400     -0.4264000    
 C    2.384300      0.3022000      0.1214000    
 C   -1.880900      -3.842000      0.2067000    
 C   5.9700001E-02   3.293100      0.2774000    
 C    1.417700       2.591500      0.3655000    
 C   -3.646300      0.7479000      0.1838000    
 C    2.704600      -2.055800     -0.3225000    
 C   -3.455300       2.206700     -5.1899999E-02
 C    3.732400      0.5619000     -7.5800002E-02
 C    4.062900      -1.805400     -0.5227000    
 C    4.572900     -0.5064000     -0.3977000    
 H   3.9999999E-04  -2.788300     -0.9330000    
 H  -0.4601000      0.7404000       1.309400    
 H   1.6100001E-02   1.228900      -1.646400    
 H   -2.230000      0.6100000      -2.266100    
 H   -1.719700      -1.770100      -2.404400    
 H  -0.2220000     -0.8742000      -2.499600    
 H   0.5429000      -1.102800       2.521900    
 H   0.7242000      -2.668400       1.730600    
 H   -1.570200      -2.770100       2.432700    
 H   -1.838000      -1.050600       2.043600    
 H   -3.723200      -1.821800      0.7740000    
 H   -3.438000      -2.178800     -0.9336000    
 H   -1.380200       3.099600      -1.329400    
 H   -2.084800      -4.090900     -0.8387000    
 H  -0.9591000      -4.325200      0.5437000    
 H   -2.721700      -4.133800      0.8429000    
 H  -0.2167000       3.570900       1.302500    
 H   0.2265000       4.233000     -0.2647000    
 H   -4.419000      0.4558000      0.8897000    
 H    2.322900      -3.068000     -0.4045000    
 H   -3.558800       2.482100      -1.107600    
 H   -4.230600       2.752300      0.4964000    
 H    4.151900       1.557500      2.9000000E-03
 H    4.732000      -2.624400     -0.7720000    
 H    5.633200     -0.3285000     -0.5570000    


%chk=000170779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170779

1 1
O -2.194393 2.623976 0.562133
O 2.533199 3.243055 0.131698
N -1.723701 -2.339180 0.307330
N 1.387847 1.224924 0.411159
C 0.402221 -0.999527 0.352052
C -0.508810 -1.841142 -0.594571
C 0.061072 0.537404 0.384712
C -0.696698 1.129975 -0.829304
C -1.782397 0.171617 -1.387481
C -1.035915 -1.112002 -1.836511
C 0.142340 -1.673356 1.737248
C -1.370144 -1.910508 1.758131
C -3.062437 -1.690177 -0.145023
C 1.886121 -1.009032 -0.014544
C -2.888642 -0.210884 -0.394226
C -1.105388 2.576245 -0.438247
C 2.426932 0.297526 0.108288
C -1.850275 -3.851637 0.212311
C 0.078453 3.324655 0.249009
C 1.442789 2.619622 0.251903
C -3.692994 0.694898 0.225122
C 2.720592 -2.095870 -0.330680
C -3.518984 2.193759 0.069690
C 3.803112 0.548767 -0.078687
C 4.102701 -1.861089 -0.535017
C 4.629005 -0.552340 -0.406914
H 0.029869 -2.762639 -0.876153
H -0.509034 0.788771 1.299700
H 0.042059 1.246998 -1.650493
H -2.247798 0.656481 -2.269948
H -1.675222 -1.777429 -2.445403
H -0.169379 -0.853239 -2.471345
H 0.468504 -1.033270 2.573066
H 0.705545 -2.621640 1.807266
H -1.711501 -2.694425 2.452176
H -1.921095 -0.977380 1.960013
H -3.801522 -1.896798 0.647499
H -3.367126 -2.235954 -1.056324
H -1.437717 3.117782 -1.349170
H -1.945205 -4.142051 -0.845982
H -0.952427 -4.319621 0.644505
H -2.743700 -4.179029 0.767369
H -0.227982 3.496560 1.299616
H 0.241992 4.318258 -0.195747
H -4.477043 0.346614 0.911471
H 2.326315 -3.116598 -0.417002
H -3.655824 2.512497 -0.986701
H -4.245808 2.738802 0.691517
H 4.199321 1.560606 0.020874
H 4.767406 -2.693514 -0.785660
H 5.699968 -0.385061 -0.561524


