%chk=000299367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299367

0 1
O 4.046574 -0.658040 0.000634
O 3.462545 1.536818 0.000663
N 1.414479 -1.522940 0.000288
N 0.094613 -1.686340 0.000206
N 0.412566 1.927906 0.000594
C -0.481824 -0.440765 0.000312
C 0.555887 0.570178 0.000424
C -1.927279 -0.212281 0.000336
C 1.779494 -0.155946 0.000402
C -2.617255 -0.093681 -1.216225
C -2.617323 -0.094296 1.216920
C 3.119290 0.371788 0.000518
C -3.993203 0.149443 -1.211162
C -3.993268 0.148828 1.211904
C -4.681357 0.273168 0.000382
C 5.443653 -0.259937 0.000816
H 2.067771 -2.294459 0.000202
H -2.079854 -0.201531 -2.157178
H -2.079967 -0.202618 2.157846
H 1.232639 2.520151 0.000565
H -0.496687 2.350752 0.000424
H -4.530970 0.238617 -2.153762
H -4.531089 0.237527 2.154518
H -5.753293 0.461456 0.000403
H 5.657549 0.324910 0.901197
H 5.657846 0.324604 -0.899693
H 5.965064 -1.222413 0.001066


%chk=000299367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299367

0 1
O 4.100796 -0.687049 0.000797
O 3.405669 1.563042 -0.000282
N 1.422652 -1.560465 0.000731
N 0.062962 -1.743284 0.000959
N 0.448835 1.891480 -0.000869
C -0.472668 -0.475118 0.000420
C 0.569142 0.520584 -0.000198
C -1.939477 -0.223500 0.000513
C 1.788287 -0.210837 0.000011
C -2.648693 -0.085400 -1.221864
C -2.648986 -0.087839 1.222990
C 3.124520 0.326481 -0.000401
C -4.037828 0.175057 -1.222337
C -4.038123 0.172600 1.223645
C -4.735875 0.305430 0.000702
C 5.503319 -0.215420 0.001364
H 2.049569 -2.361159 0.001020
H -2.108288 -0.194357 -2.168800
H -2.108795 -0.198653 2.169829
H 1.302355 2.451294 -0.001293
H -0.467286 2.330374 -0.000990
H -4.573753 0.272201 -2.173145
H -4.574275 0.267855 2.174515
H -5.813244 0.505741 0.000773
H 5.702887 0.392916 0.899591
H 5.704021 0.391639 -0.897476
H 6.108877 -1.132713 0.002398


