%chk=000219561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219561

0 1
O 0.980727 0.774662 1.563449
N -1.236454 1.158956 -0.124155
N 3.759243 0.919902 1.488982
C -0.626821 -0.062064 -0.714301
C 0.888393 0.046390 -0.695184
C -1.057864 -1.357175 -0.032715
C 1.633972 0.442468 0.405781
C 1.588579 -0.299860 -1.889352
C 3.075450 0.508781 0.349922
C 3.736926 0.155084 -0.854520
C 2.959454 -0.253191 -1.976104
C -2.636426 1.363907 -0.218046
C -1.545204 -2.411119 -0.819114
C -0.976376 -1.511061 1.357213
C 5.168790 0.233162 -0.868117
C -1.950979 -3.605783 -0.217441
C -1.385279 -2.705670 1.956084
C -3.225451 2.306967 0.659543
C -3.427299 0.745790 -1.209457
C -1.873770 -3.754687 1.170824
C 5.836340 0.638388 0.257872
C 5.084682 0.978635 1.434186
C -4.573111 2.627742 0.522411
C -4.776095 1.082998 -1.324235
C -5.357054 2.020864 -0.466214
H -0.964122 -0.089996 -1.793515
H -0.819624 1.428597 0.775175
H 1.001155 -0.611421 -2.756438
H 3.468368 -0.524089 -2.899335
H -1.612031 -2.305853 -1.899980
H -0.584867 -0.698998 1.973689
H 5.701343 -0.033319 -1.781462
H -2.330244 -4.420388 -0.831612
H -1.322651 -2.818453 3.037022
H -2.628237 2.786958 1.429009
H -2.996318 0.010857 -1.881732
H -2.193333 -4.683538 1.638546
H 1.626689 1.063792 2.279129
H 6.921742 0.710301 0.286240
H 5.610039 1.305000 2.340792
H -5.022660 3.357856 1.194966
H -5.382922 0.605105 -2.092879
H -6.407403 2.275806 -0.563326


%chk=000219561-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219561

0 1
O 1.030605 1.042093 1.555702
N -1.299076 1.030179 0.029799
N 3.650925 1.144221 1.420724
C -0.690845 -0.112356 -0.652908
C 0.839750 0.012374 -0.674821
C -1.093246 -1.492938 -0.074236
C 1.595380 0.538414 0.382231
C 1.562551 -0.472964 -1.816718
C 3.029488 0.594098 0.312345
C 3.730765 0.102249 -0.841357
C 2.956612 -0.439402 -1.916185
C -2.636857 1.407231 -0.118072
C -1.427106 -2.560742 -0.941255
C -1.109551 -1.710355 1.325760
C 5.159412 0.204616 -0.809038
C -1.767251 -3.831477 -0.423162
C -1.450407 -2.977412 1.846098
C -3.114120 2.553976 0.588107
C -3.548063 0.707014 -0.963963
C -1.778527 -4.043268 0.974260
C 5.788131 0.760792 0.311002
C 4.995353 1.221402 1.411148
C -4.445839 2.985157 0.444183
C -4.878709 1.157225 -1.104372
C -5.343948 2.295580 -0.407955
H -1.022116 -0.096348 -1.712375
H -0.744197 1.468486 0.769248
H 0.979043 -0.887958 -2.646991
H 3.458956 -0.820903 -2.811557
H -1.429843 -2.398020 -2.027721
H -0.862189 -0.882371 1.999470
H 5.747760 -0.153705 -1.661405
H -2.030423 -4.648632 -1.104594
H -1.464072 -3.135348 2.930647
H -2.426178 3.104183 1.242878
H -3.232836 -0.200282 -1.487647
H -2.046619 -5.025161 1.380455
H 1.824276 1.348079 2.106608
H 6.877280 0.850495 0.361988
H 5.470912 1.659534 2.295222
H -4.785373 3.868766 0.997790
H -5.561305 0.601337 -1.758474
H -6.379207 2.634447 -0.519259


