%chk=000207516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207516

0 1
N 1.231124 -1.112516 0.898255
N 3.785903 0.255505 0.870528
N -4.323806 -1.156328 0.244147
N -2.015988 -1.648870 0.655383
N -0.654915 -2.568461 -1.121744
N -2.963721 -1.866726 -1.588766
N -1.630021 -2.874696 -3.261103
C 2.274347 -1.444485 -0.126366
C 1.886426 -0.671975 2.172971
C 3.128859 -0.193240 -0.402307
C 2.734114 0.585299 1.890010
C 0.317885 -2.274036 1.137844
C 4.661719 1.451617 0.629187
C -5.392090 -0.772783 -0.721627
C -4.400982 -0.399613 1.526777
C -5.290829 0.713948 -1.092470
C -0.842584 -2.145040 0.166513
C -4.710393 1.068071 1.348076
C -5.154015 1.592008 0.119576
C 5.843526 1.082043 -0.236255
C -3.070065 -1.525147 -0.248452
C -4.570454 1.917424 2.455646
C -5.449004 2.960314 0.017052
C 6.598912 -0.066886 0.045689
C 6.210132 1.907854 -1.308871
C -4.868395 3.276932 2.345484
C -5.308158 3.798578 1.124388
C -1.750408 -2.416030 -1.964800
C 7.710221 -0.383601 -0.738045
C 7.326229 1.587883 -2.088067
C 8.077813 0.443831 -1.805073
H 1.755337 -1.753979 -1.062359
H 2.929640 -2.287535 0.182150
H 2.526353 -1.459918 2.626307
H 1.090954 -0.416868 2.906044
H 3.927424 -0.448309 -1.133028
H 2.497578 0.597318 -0.863255
H 2.067541 1.416921 1.571238
H 3.239774 0.901162 2.826803
H -0.082168 -2.248885 2.179786
H 0.802641 -3.268202 1.001889
H 5.048698 1.796243 1.617965
H 4.106854 2.312360 0.193784
H -6.368272 -0.992243 -0.233133
H -5.331294 -1.411705 -1.633128
H -3.451802 -0.527214 2.108176
H -5.206630 -0.880111 2.134161
H -6.172736 1.006142 -1.696326
H -4.408304 0.872677 -1.753454
H -4.222963 1.517346 3.407197
H -5.788210 3.372021 -0.931676
H 6.300721 -0.713071 0.872905
H 5.630154 2.798517 -1.539503
H -5.539437 4.858514 1.036656
H -4.755853 3.929859 3.208607
H 8.292198 -1.276620 -0.517506
H 7.608752 2.232546 -2.918177
H 8.945321 0.196696 -2.412433
H -2.350474 -2.660366 -3.932391
H -0.721178 -3.139570 -3.608581


%chk=000207516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207516

0 1
N 1.355897 -1.079649 0.991750
N 3.931610 0.233782 0.809941
N -4.064222 -0.719756 0.050430
N -1.896530 -1.446835 0.632476
N -0.594048 -2.699457 -0.986270
N -2.841610 -1.926676 -1.567835
N -1.537361 -3.146785 -3.082939
C 2.269768 -1.340927 -0.148727
C 2.129367 -0.740211 2.209878
C 3.158445 -0.116550 -0.409081
C 3.015749 0.488986 1.947739
C 0.377089 -2.174700 1.220926
C 4.882038 1.346392 0.585036
C -5.207147 -0.580543 -0.871134
C -4.204359 -0.085536 1.372886
C -5.440205 0.914447 -1.173850
C -0.771810 -2.103247 0.231521
C -4.951853 1.244662 1.311520
C -5.542516 1.726219 0.111899
C 6.054054 0.961959 -0.314782
C -2.910840 -1.376973 -0.307331
C -5.064244 2.009018 2.499755
C -6.227502 2.967837 0.130785
C 6.647916 -0.321841 -0.214304
C 6.597512 1.896554 -1.229936
C -5.743782 3.244530 2.508195
C -6.329321 3.728563 1.314101
C -1.670573 -2.570270 -1.845406
C 7.765822 -0.660146 -1.007871
C 7.719777 1.562673 -2.023242
C 8.308764 0.282157 -1.913917
H 1.666315 -1.571492 -1.042805
H 2.924005 -2.226561 0.058173
H 2.782969 -1.589459 2.536799
H 1.422685 -0.511475 3.029064
H 3.867668 -0.341067 -1.225848
H 2.513348 0.738595 -0.733861
H 2.351389 1.368774 1.752911
H 3.619762 0.705624 2.849672
H -0.049845 -2.050516 2.230305
H 0.851128 -3.182973 1.150426
H 5.274928 1.642922 1.579435
H 4.377802 2.253681 0.161869
H -6.108134 -1.013354 -0.390784
H -4.976780 -1.151215 -1.782430
H -3.188296 0.043831 1.782451
H -4.738284 -0.775042 2.063308
H -6.361132 1.036378 -1.775274
H -4.599110 1.285572 -1.792467
H -4.608528 1.632816 3.424729
H -6.687276 3.335805 -0.795240
H 6.207434 -1.043793 0.482417
H 6.138849 2.889289 -1.324689
H -6.862360 4.685830 1.309299
H -5.816640 3.825319 3.434331
H 8.214912 -1.656558 -0.921255
H 8.128744 2.296473 -2.727461
H 9.176718 0.019986 -2.529783
H -2.302336 -3.084766 -3.749337
H -0.673817 -3.635703 -3.303869


