%chk=000209598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209598

0 1
O -1.508986 -0.197295 1.960736
N 0.276667 -0.157741 -0.499827
N -3.434772 2.007782 -0.216990
C -1.220388 -0.160250 -0.477180
C -1.669392 0.613580 0.779593
C -3.183239 0.917205 0.768272
C 0.798423 0.989359 -1.314555
C 0.832638 -1.463978 -0.984322
C -4.872022 2.132720 -0.613275
C 2.263878 1.213217 -1.023625
C 0.652891 -2.506207 0.094738
C -5.799929 2.527090 0.548150
C -4.953647 3.168337 -1.743915
C 2.714756 1.313494 0.301668
C 1.263670 -2.327700 1.345864
C 3.176122 1.348549 -2.080043
C -0.110714 -3.656455 -0.148974
C 4.065998 1.547586 0.565151
C 1.108395 -3.292040 2.343879
C 4.527296 1.586697 -1.810443
C -0.259159 -4.620692 0.852770
C 4.974732 1.686268 -0.489822
C 0.347685 -4.440708 2.099294
H -1.611035 -1.199958 -0.418935
H -1.684740 0.294346 -1.379646
H -1.062922 1.533687 0.932871
H -3.749248 0.004809 0.483677
H -3.502747 1.159913 1.806374
H 0.235037 1.908419 -1.021031
H 0.622408 0.858833 -2.405057
H 1.925349 -1.332897 -1.178176
H 0.388327 -1.796740 -1.946848
H -3.092277 2.898085 0.159956
H -5.195282 1.134343 -1.011152
H -0.671374 -0.712729 1.904358
H -5.801294 1.771206 1.340256
H -6.834319 2.638602 0.205867
H -5.507840 3.479191 1.002458
H -5.956912 3.194508 -2.180601
H -4.717694 4.179779 -1.397449
H -4.245267 2.926384 -2.546926
H 2.002964 1.197990 1.119919
H 1.856052 -1.430751 1.530148
H 2.838459 1.271217 -3.111025
H -0.589127 -3.804095 -1.114412
H 4.412718 1.623357 1.594335
H 1.580786 -3.149691 3.314531
H 5.232256 1.693727 -2.632905
H -0.852137 -5.513291 0.660859
H 6.026404 1.870701 -0.282410
H 0.227651 -5.190664 2.878018


%chk=000209598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209598

0 1
O -0.495221 1.213381 1.575960
N 0.478374 0.142427 -0.644889
N -3.687195 1.807355 -0.300431
C -0.990640 0.410249 -0.682765
C -1.332960 1.473658 0.401423
C -2.808641 1.432442 0.832142
C 1.275536 1.198678 -1.342519
C 0.856699 -1.230796 -1.086677
C -5.130848 1.477946 -0.158302
C 2.729808 1.237523 -0.890179
C 0.365385 -2.322713 -0.145602
C -5.833655 2.190818 1.031259
C -5.843969 1.789098 -1.490046
C 3.047756 1.572147 0.452483
C 0.712187 -2.296762 1.229792
C 3.784668 0.961735 -1.794066
C -0.419903 -3.396856 -0.630727
C 4.391937 1.624114 0.879695
C 0.285000 -3.323387 2.098508
C 5.133382 1.013286 -1.369370
C -0.848830 -4.429420 0.236119
C 5.440040 1.343723 -0.030279
C -0.497731 -4.394565 1.604444
H -1.504954 -0.532221 -0.424696
H -1.352642 0.735882 -1.680183
H -1.106497 2.494124 0.009762
H -3.057980 0.400068 1.144164
H -2.917310 2.077662 1.734376
H 0.793793 2.166715 -1.112431
H 1.225709 1.066655 -2.449405
H 1.962532 -1.251930 -1.131433
H 0.486642 -1.434080 -2.120222
H -3.563221 2.797550 -0.562353
H -5.183297 0.383712 0.016966
H 0.251344 0.651131 1.185197
H -5.323246 1.976352 1.987799
H -6.884548 1.858401 1.126370
H -5.835581 3.288106 0.879944
H -6.909827 1.500988 -1.445444
H -5.798297 2.873115 -1.715319
H -5.361679 1.244885 -2.320354
H 2.237147 1.799923 1.155889
H 1.322055 -1.470559 1.613492
H 3.550214 0.707382 -2.835707
H -0.697696 -3.425286 -1.692049
H 4.624682 1.888424 1.917523
H 0.560042 -3.290163 3.158768
H 5.939319 0.796055 -2.079470
H -1.456281 -5.253914 -0.154167
H 6.483552 1.385388 0.301755
H -0.830057 -5.191350 2.279453


