%chk=000224721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224721

0 1
O -5.318669 -0.431355 0.673666
O 5.232019 -0.115084 -1.321935
O -5.168426 -0.617443 -1.568041
O 4.233681 -2.023488 -0.659986
N -1.060449 0.436026 -0.789935
N 1.974686 1.922199 0.342802
C -0.061123 0.889936 1.523738
C -1.200459 0.530328 0.617413
C 1.256982 0.796454 0.819024
C -2.527627 0.239134 0.933588
C 1.993703 -0.342586 0.493804
C -0.300028 2.269042 2.156375
C -3.216228 -0.035995 -0.301914
C 3.185825 0.092908 -0.195327
C -2.278726 0.086581 -1.351942
C 3.152043 1.499820 -0.262561
C -3.131278 0.217040 2.280407
C 1.622181 -1.736618 0.797930
C -2.460104 -0.101111 -2.802700
C 4.108106 2.457806 -0.848075
C -4.604809 -0.385587 -0.512495
C 4.199474 -0.810188 -0.701047
C -6.726448 -0.812590 0.594454
C 6.349877 -0.895574 -1.844899
C -6.843848 -2.319046 0.474370
C 7.290909 -1.262861 -0.715206
H -0.041617 0.126273 2.356029
H -1.205891 2.254175 2.777724
H -0.459816 3.046670 1.402458
H 0.533115 2.565411 2.801946
H -0.188421 0.556110 -1.277360
H 1.678509 2.873498 0.465596
H -2.404776 -0.012369 3.068494
H -3.940249 -0.535790 2.338516
H -3.602411 1.183353 2.516789
H 2.254791 -2.459134 0.246047
H 0.574575 -1.951590 0.542821
H 1.755277 -1.962977 1.866515
H -2.244568 0.809802 -3.377686
H -3.517171 -0.373108 -3.024920
H -1.838673 -0.914884 -3.202986
H 5.072078 1.952312 -1.073955
H 4.340084 3.297615 -0.179892
H 3.748229 2.867801 -1.803668
H -7.191180 -0.283780 -0.257304
H -7.104040 -0.420925 1.555562
H 6.788659 -0.181835 -2.564212
H 5.948876 -1.784156 -2.365823
H -7.883467 -2.651052 0.565569
H -6.468531 -2.663537 -0.501624
H -6.254069 -2.831250 1.244473
H 8.211750 -1.722011 -1.091142
H 7.567690 -0.385371 -0.118416
H 6.817484 -1.982998 -0.029858


%chk=000224721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224721

0 1
O -5.369090 -0.513737 0.698887
O 5.303534 -0.100217 -1.300815
O -5.194247 -0.664047 -1.623140
O 4.128945 -2.054043 -0.772905
N -1.117447 0.487094 -0.759329
N 2.063061 1.938114 0.443884
C -0.075574 1.004617 1.517218
C -1.239435 0.566370 0.638134
C 1.265271 0.837713 0.819571
C -2.559384 0.240236 0.968230
C 1.948057 -0.319488 0.424677
C -0.290915 2.453868 2.044874
C -3.247453 -0.043170 -0.289312
C 3.191313 0.112344 -0.202907
C -2.312998 0.113697 -1.346891
C 3.235506 1.529282 -0.171215
C -3.121295 0.194007 2.367817
C 1.478605 -1.736950 0.631938
C -2.443987 -0.065725 -2.832370
C 4.253301 2.526330 -0.647508
C -4.643301 -0.429610 -0.509411
C 4.197428 -0.794746 -0.754734
C -6.795645 -0.929529 0.572135
C 6.391128 -0.953870 -1.861390
C -6.921062 -2.456550 0.545289
C 7.374950 -1.377246 -0.765781
H -0.070385 0.339649 2.404751
H -1.248987 2.516760 2.586354
H -0.348571 3.181810 1.212793
H 0.515803 2.754663 2.740030
H -0.227781 0.599697 -1.248162
H 1.820546 2.911358 0.625171
H -2.328897 0.352355 3.121734
H -3.605668 -0.776493 2.570297
H -3.901855 0.962156 2.518929
H 1.441050 -2.293390 -0.321208
H 0.474900 -1.760480 1.090593
H 2.178960 -2.297112 1.277555
H -2.268918 0.883317 -3.375797
H -3.461993 -0.411710 -3.064614
H -1.720480 -0.810187 -3.217700
H 5.219857 2.385668 -0.132902
H 3.908686 3.562109 -0.470239
H 4.458629 2.402083 -1.724460
H -7.216097 -0.481316 -0.345262
H -7.274839 -0.492873 1.463955
H 6.868676 -0.308135 -2.616767
H 5.935372 -1.834919 -2.346512
H -7.988580 -2.746846 0.540218
H -6.446903 -2.867573 -0.361428
H -6.444468 -2.906281 1.433855
H 8.216062 -1.940216 -1.212253
H 7.787478 -0.496039 -0.243914
H 6.876638 -2.028799 -0.028762


