%chk=000217414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217414

0 1
O 3.691270 0.897562 -1.135944
N -2.971098 1.024672 0.432124
C -0.993639 -0.205616 -0.454699
C -1.429393 0.882881 -1.482335
C -2.156413 -0.220677 0.590100
C -2.802762 1.401595 -1.010067
C -0.891885 -1.594090 -1.133460
C 0.367714 0.156959 0.131273
C -2.509220 2.110835 1.346299
C 1.442199 0.374211 -0.742168
C 0.583250 0.263710 1.516286
C -0.589816 -2.694148 -0.158916
C 2.696618 0.698363 -0.206622
C 1.842704 0.587692 2.025271
C 2.925236 0.812617 1.171932
C -1.245825 -3.852326 -0.129160
H -1.484366 0.482255 -2.505945
H -0.700195 1.711105 -1.520925
H -2.842461 -1.073484 0.389957
H -1.799126 -0.356400 1.628578
H -2.915414 2.488263 -1.171134
H -3.627049 0.906184 -1.566582
H -0.096306 -1.580373 -1.909220
H -1.833512 -1.797483 -1.684379
H -1.451506 2.392010 1.232304
H -2.675736 1.793246 2.387558
H -3.128928 3.005812 1.179837
H 1.331535 0.296562 -1.821310
H -0.244706 0.090555 2.206382
H 0.232266 -2.482081 0.529541
H 1.985193 0.665900 3.103668
H 3.902684 1.064101 1.564808
H -1.009681 -4.646707 0.563471
H -2.063835 -4.101222 -0.788375
H 4.556601 1.117913 -0.713750


%chk=000217414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217414

0 1
O 3.673141 1.539676 -1.054313
N -3.028757 1.039630 0.336681
C -0.933459 -0.143809 -0.366638
C -1.388369 0.915820 -1.435657
C -2.110752 -0.077171 0.706098
C -2.903394 1.111159 -1.147405
C -0.925399 -1.565573 -1.058682
C 0.470168 0.139295 0.199317
C -2.701799 2.321039 1.011766
C 1.459250 0.722969 -0.631094
C 0.843891 -0.237350 1.520322
C -0.668540 -2.738040 -0.137061
C 2.768185 0.946205 -0.152201
C 2.154625 -0.011353 1.992958
C 3.131410 0.586074 1.166568
C -1.526059 -3.771324 0.062807
H -1.191221 0.580454 -2.470103
H -0.857363 1.872357 -1.281203
H -2.674862 -1.028323 0.678252
H -1.750453 0.068124 1.737094
H -3.306256 2.063946 -1.530955
H -3.493807 0.286281 -1.593407
H -0.141837 -1.545430 -1.844205
H -1.899439 -1.703148 -1.568691
H -1.663860 2.691827 0.831101
H -2.833640 2.199834 2.101292
H -3.410429 3.097608 0.672412
H 1.236684 1.016338 -1.661349
H 0.115639 -0.713147 2.184212
H 0.298025 -2.736384 0.387922
H 2.420974 -0.303978 3.014799
H 4.148320 0.763414 1.539941
H -1.278417 -4.603957 0.731302
H -2.499208 -3.818146 -0.442897
H 4.561407 1.655478 -0.634586


