%chk=000218570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218570

1 1
O -5.746322 0.704292 -0.501830
N -3.191887 -0.131521 0.408858
N 1.518506 1.108278 0.193300
N 2.102438 -1.614999 -0.343167
C -3.672774 1.259266 0.655966
C -4.315986 -1.106064 0.288409
C -1.889539 -0.446407 0.196806
C -4.674051 1.658862 -0.444493
C -5.296019 -0.627624 -0.799204
C 0.477985 0.188976 0.111201
C -0.862754 0.532415 0.278336
C 0.854646 -1.209233 -0.169694
C -1.512485 -1.834971 -0.088383
C 2.857656 0.700705 0.011573
C -0.224688 -2.193646 -0.259801
C 3.116524 -0.682804 -0.257819
C 1.207348 2.531207 0.476627
C 3.951318 1.606308 0.085811
C 4.466317 -1.125522 -0.446301
C 5.238375 1.147526 -0.100529
C 5.499346 -0.224467 -0.367985
H -2.828513 1.982751 0.704575
H -4.176129 1.280976 1.654903
H -4.838985 -1.156879 1.276489
H -3.951594 -2.134984 0.066447
H -5.207031 2.599201 -0.196030
H -4.196652 1.747873 -1.436242
H -4.852536 -0.658071 -1.810064
H -6.242331 -1.206582 -0.785196
H -1.147475 1.565700 0.479364
H -2.311157 -2.584664 -0.158945
H 0.074366 -3.230311 -0.473668
H 0.693016 2.634256 1.452303
H 2.123402 3.155099 0.526158
H 0.566178 2.959311 -0.318509
H 3.770601 2.665789 0.290898
H 4.636850 -2.189489 -0.650973
H 6.083389 1.843371 -0.043779
H 6.535248 -0.548824 -0.509811


%chk=000218570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218570

1 1
O -5.876055 0.674886 -0.555819
N -3.217849 -0.082206 0.341405
N 1.561509 1.098756 0.304411
N 2.138613 -1.616502 -0.353297
C -3.716540 1.311654 0.493863
C -4.355426 -1.045387 0.364783
C -1.890223 -0.426052 0.201256
C -4.761749 1.622757 -0.608314
C -5.382374 -0.694231 -0.737201
C 0.507699 0.184291 0.157029
C -0.842488 0.544078 0.316264
C 0.871276 -1.200175 -0.155944
C -1.512836 -1.808696 -0.075320
C 2.890690 0.717494 0.036104
C -0.194865 -2.166544 -0.250304
C 3.146962 -0.677536 -0.281024
C 1.243778 2.475677 0.752814
C 3.984245 1.625851 0.057606
C 4.484440 -1.115854 -0.532417
C 5.283935 1.162181 -0.202070
C 5.545384 -0.210771 -0.490478
H -2.900742 2.044260 0.430483
H -4.196512 1.405432 1.486692
H -4.849175 -0.956196 1.351573
H -4.016467 -2.082658 0.250292
H -5.204080 2.617303 -0.440074
H -4.276454 1.596601 -1.607252
H -4.925329 -0.811666 -1.742542
H -6.266658 -1.345369 -0.656294
H -1.093876 1.580618 0.532768
H -2.274872 -2.583426 -0.168989
H 0.093299 -3.196998 -0.475324
H 0.514830 2.430901 1.577769
H 2.143520 2.968522 1.137638
H 0.828222 3.073641 -0.077568
H 3.841817 2.691771 0.246197
H 4.626964 -2.175829 -0.759890
H 6.113020 1.876970 -0.188668
H 6.568968 -0.542448 -0.684554


