%chk=000203454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203454

0 1
O 0.911379 -1.893614 -1.550466
N 3.753845 -1.175343 0.093458
N 1.028935 0.173628 -0.629840
C 2.385009 -1.728419 0.333771
C -0.048240 0.667847 -1.528080
C -5.283314 0.325292 1.034888
C -1.399317 0.588254 -0.857802
C -3.920535 0.405682 0.372800
C 4.315476 -1.696724 -1.201058
C 4.663117 -1.492076 1.246470
C 1.395325 -1.164423 -0.687974
C -2.027039 -0.659090 -0.714257
C -2.033780 1.740853 -0.380397
C -3.277190 -0.748346 -0.103848
C -3.288395 1.648953 0.229709
C -6.327691 -0.214853 0.049585
C -5.215549 -0.533819 2.304156
C 1.519677 1.102951 0.408159
C 5.449339 -0.786382 -1.672159
C 4.321529 -0.615721 2.452211
H 2.334769 -2.840515 0.263242
H 2.056312 -1.463742 1.363655
H -0.048046 0.039478 -2.457492
H 0.190835 1.704494 -1.849753
H -5.600952 1.357317 1.337600
H 3.504175 -1.696167 -1.967104
H 4.667216 -2.747707 -1.125355
H 5.707896 -1.275450 0.924894
H 4.637046 -2.565538 1.533576
H -1.524371 -1.558139 -1.084004
H -1.556111 2.712694 -0.483206
H -3.758022 -1.719399 0.001581
H -3.773286 2.552706 0.593423
H -6.355799 0.387416 -0.865857
H -7.330464 -0.202623 0.488948
H -6.112749 -1.247129 -0.248228
H -4.965710 -1.576387 2.078242
H -6.174394 -0.534388 2.832901
H -4.452175 -0.158568 2.995037
H 2.605992 0.954922 0.572891
H 1.374928 2.148760 0.094045
H 0.987335 0.956454 1.362542
H 5.126015 0.263502 -1.689532
H 6.325305 -0.842518 -1.016850
H 5.768240 -1.054499 -2.685121
H 4.337468 0.448284 2.182306
H 3.325466 -0.834861 2.853083
H 5.045797 -0.765146 3.260411


%chk=000203454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203454

0 1
O 0.999456 -2.208645 -1.594117
N 3.857629 -1.153051 0.113882
N 1.029538 -0.084752 -0.636609
C 2.559873 -1.870507 0.253467
C -0.049820 0.366010 -1.554306
C -5.396111 0.497518 0.997727
C -1.422034 0.413773 -0.889791
C -4.008300 0.465947 0.350854
C 4.444865 -1.339882 -1.247314
C 4.810122 -1.537012 1.195498
C 1.474929 -1.394666 -0.731788
C -2.080107 -0.792861 -0.531245
C -2.070554 1.641313 -0.619590
C -3.350072 -0.764426 0.077948
C -3.345997 1.665309 -0.007596
C -6.462631 -0.163714 0.083258
C -5.391232 -0.161596 2.402726
C 1.446538 0.853277 0.420953
C 5.469732 -0.250341 -1.611989
C 4.446450 -0.954425 2.574356
H 2.660767 -2.965574 0.071765
H 2.194390 -1.734213 1.288589
H -0.057766 -0.350228 -2.394291
H 0.224616 1.367662 -1.937222
H -5.679498 1.561995 1.126971
H 3.616851 -1.305959 -1.977399
H 4.908553 -2.353178 -1.346985
H 5.805895 -1.155139 0.908692
H 4.903138 -2.651092 1.268794
H -1.588137 -1.748880 -0.746543
H -1.580851 2.584892 -0.893640
H -3.839872 -1.711104 0.337063
H -3.835213 2.627438 0.190798
H -6.496393 0.324037 -0.907512
H -7.466871 -0.092372 0.541364
H -6.238547 -1.235013 -0.076064
H -5.128242 -1.233724 2.336673
H -6.390798 -0.088077 2.870576
H -4.657852 0.325577 3.070296
H 2.461887 0.591953 0.757999
H 1.474517 1.877055 0.004441
H 0.736654 0.851196 1.271480
H 5.004242 0.748397 -1.541354
H 6.354819 -0.262946 -0.950268
H 5.828504 -0.398627 -2.647381
H 4.369229 0.145828 2.517502
H 3.489887 -1.349012 2.962453
H 5.229117 -1.210260 3.312081


