%chk=000217390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217390

0 1
O 7.035075 -0.990757 0.007483
O -7.036262 0.985654 0.002006
N 3.076462 0.587251 -0.081466
N -3.077832 -0.592408 0.094337
C 0.608219 0.456852 -0.065189
C -0.609582 -0.461942 0.078589
C 1.913927 -0.354215 -0.035866
C -1.915310 0.349083 0.048912
C 4.377422 -0.146260 -0.136253
C -4.378824 0.141058 0.148891
C 5.518905 0.870393 0.011645
C -5.520211 -0.875597 0.000255
C 6.869930 0.204964 0.095636
C -6.871161 -0.210167 -0.084883
H 0.623886 1.207951 0.751281
H 0.538063 1.036907 -1.005446
H -0.539541 -1.041784 1.018986
H -0.625117 -1.213211 -0.737725
H 1.922092 -1.099044 -0.860989
H 1.981012 -0.929700 0.914802
H -1.923672 1.093977 0.873972
H -1.982211 0.924483 -0.901820
H 2.991907 1.200870 -0.899360
H -2.993401 -1.206018 0.912251
H 4.518099 -0.741827 -1.064690
H 4.420168 -0.872971 0.707391
H -4.421329 0.868050 -0.694530
H -4.519837 0.736311 1.077471
H 5.511015 1.596024 -0.826825
H 5.343751 1.488242 0.921602
H -5.344391 -1.493508 -0.909546
H -5.512934 -1.601167 0.838771
H 7.718166 0.894163 0.245199
H -7.719385 -0.899457 -0.234092


%chk=000217390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217390

0 1
O 7.194693 -0.986884 0.144771
O -7.196079 0.981748 -0.131708
N 3.116104 0.532301 -0.077099
N -3.117447 -0.537470 0.089411
C 0.627057 0.447090 -0.005343
C -0.628399 -0.452262 0.017649
C 1.936894 -0.362872 -0.050843
C -1.938236 0.357702 0.063159
C 4.419006 -0.166997 -0.102244
C -4.420347 0.161830 0.114569
C 5.565808 0.851637 -0.013555
C -5.567150 -0.856801 0.025866
C 6.950577 0.242608 0.087539
C -6.951918 -0.247770 -0.075237
H 0.648754 1.102862 0.886603
H 0.579200 1.117050 -0.890720
H -0.580539 -1.122227 0.903021
H -0.650101 -1.108029 -0.874302
H 1.906499 -1.064531 -0.923558
H 2.011827 -0.993550 0.857709
H -1.907837 1.059352 0.935881
H -2.013169 0.988387 -0.845387
H 3.040796 1.213865 -0.847446
H -3.042138 -1.219042 0.859751
H 4.563098 -0.813308 -1.002055
H 4.468769 -0.843740 0.771143
H -4.470110 0.838586 -0.758809
H -4.564438 0.808128 1.014389
H 5.564150 1.541109 -0.886769
H 5.413035 1.508788 0.869491
H -5.414386 -1.513933 -0.857196
H -5.565483 -1.546292 0.899066
H 7.786620 0.990568 0.120260
H -7.788011 -0.995705 -0.107208


