%chk=000218365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218365

0 1
N -0.398628 -0.113679 0.020863
N 2.442554 0.366538 0.099012
N -4.633559 0.783411 0.051608
C -1.809456 0.255802 0.035291
C -2.299011 1.531039 0.161947
C 0.286035 0.263404 1.302307
C 0.312836 0.473983 -1.163230
C -1.585693 2.840788 0.306671
C -2.692560 3.918121 0.433527
C -3.735853 1.744646 0.166711
C 1.739941 -0.249017 1.269325
C 1.766724 -0.035618 -1.180224
C -4.059605 3.205718 0.320542
C -2.758357 -0.833070 -0.094930
C -4.148338 -0.523872 -0.082349
C 3.875462 0.179590 0.063810
C -2.359357 -2.192622 -0.234049
C -5.109279 -1.575643 -0.209544
C -3.298391 -3.196199 -0.355800
C -4.691321 -2.875594 -0.342675
C 4.567743 -0.723935 0.887338
C 4.606594 1.026140 -0.799670
C -2.893054 -4.627273 -0.502733
C 5.964450 -0.772051 0.856423
C 5.995547 0.963631 -0.828994
C 6.690775 0.064306 0.000119
C 8.183841 0.015349 -0.040510
H -0.261380 -0.223098 2.138797
H 0.277576 1.361000 1.490748
H 0.302915 1.586889 -1.164482
H -0.213199 0.133896 -2.081935
H -0.921255 2.839087 1.193097
H -0.933775 3.037431 -0.566624
H -2.609160 4.448154 1.396955
H -2.584408 4.681931 -0.354134
H 2.258159 0.067262 2.200999
H 1.744015 -1.361052 1.237633
H 1.780027 -1.138456 -1.328209
H 2.306998 0.418346 -2.037879
H -4.646852 3.571764 -0.542887
H -4.691721 3.378802 1.211943
H -1.289821 -2.415847 -0.240891
H -6.167703 -1.310302 -0.196915
H -5.416516 -3.682344 -0.440150
H 4.034034 -1.397530 1.552653
H 4.079131 1.742141 -1.427996
H -1.803359 -4.760647 -0.501368
H -3.293950 -5.240375 0.316904
H -3.268716 -5.052490 -1.444262
H 6.486819 -1.473467 1.505013
H 6.550597 1.621637 -1.495804
H 8.600800 -0.754384 0.621167
H 8.549411 -0.199502 -1.054436
H 8.620395 0.976058 0.267977


%chk=000218365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218365

0 1
N -0.418596 0.471462 0.096543
N 2.448033 0.226840 -0.021031
N -4.750725 0.680398 0.026954
C -1.837770 0.573065 0.129302
C -2.551546 1.736457 0.473836
C 0.430293 1.236090 1.025185
C 0.258853 0.231345 -1.200663
C -2.089251 3.154984 0.798727
C -3.368874 3.839651 1.376713
C -3.992046 1.719319 0.404639
C 1.764497 0.494342 1.258354
C 1.589899 -0.506275 -0.981738
C -4.561570 3.094465 0.716997
C -2.623304 -0.611895 -0.200752
C -4.064941 -0.496725 -0.267542
C 3.850995 -0.016849 -0.019785
C -2.031126 -1.897339 -0.420123
C -4.835078 -1.646581 -0.629533
C -2.796961 -3.021800 -0.756904
C -4.218962 -2.872780 -0.879981
C 4.600128 -0.124188 1.187232
C 4.571670 -0.119078 -1.248216
C -2.157698 -4.382610 -0.970655
C 6.000270 -0.311975 1.158492
C 5.963775 -0.318965 -1.258557
C 6.715823 -0.417582 -0.057103
C 8.220869 -0.622417 -0.085327
H -0.091684 1.335748 1.992138
H 0.662631 2.254823 0.637464
H 0.464052 1.202047 -1.708407
H -0.398284 -0.363924 -1.854642
H -1.246267 3.211927 1.506499
H -1.760275 3.666301 -0.129694
H -3.398542 3.689260 2.471979
H -3.383033 4.926761 1.187262
H 2.407422 1.140089 1.881808
H 1.563726 -0.447683 1.821990
H 1.376002 -1.533380 -0.601022
H 2.109109 -0.608455 -1.947191
H -4.873808 3.586088 -0.226063
H -5.456625 3.031050 1.358677
H -0.950058 -2.003827 -0.277918
H -5.920941 -1.522037 -0.687525
H -4.825800 -3.745249 -1.152475
H 4.098318 -0.085591 2.158568
H 4.046934 -0.010741 -2.203414
H -1.062277 -4.342004 -0.842940
H -2.553822 -5.129310 -0.256292
H -2.365577 -4.767930 -1.987172
H 6.542359 -0.391684 2.109271
H 6.482198 -0.385682 -2.223826
H 8.631218 -0.727522 0.934186
H 8.497136 -1.531371 -0.652819
H 8.738333 0.229733 -0.566807


