%chk=000274796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274796

0 1
O -5.090251 -0.058844 0.708801
N 1.211007 0.121829 0.224416
C 2.628051 -0.161073 -0.183688
C 3.351198 1.192504 -0.363458
C 3.322144 -1.001950 0.911005
C 4.832699 0.979724 -0.695857
C 4.803013 -1.214492 0.570907
C 5.527665 0.124386 0.372895
C 0.308206 0.339499 -0.950892
C -1.133330 0.188966 -0.536934
C -1.647023 0.989241 0.504292
C -1.969022 -0.728094 -1.180536
C -2.974282 0.876775 0.893989
C -3.313271 -0.858993 -0.809764
C -3.799179 -0.053228 0.224558
C -6.036411 -0.969347 0.100555
H 2.675910 -0.726146 -1.151275
H 3.244917 1.790373 0.563104
H 2.860125 1.783379 -1.156959
H 2.818397 -1.978175 1.027386
H 3.231685 -0.487566 1.888487
H 5.340210 1.958685 -0.782256
H 4.931971 0.496005 -1.686219
H 4.895020 -1.829739 -0.344567
H 5.292012 -1.791529 1.378008
H 6.580957 -0.054196 0.089141
H 5.556142 0.677932 1.331392
H 0.841722 -0.640177 0.803360
H 0.545464 -0.329742 -1.808281
H 0.485564 1.380558 -1.312906
H -0.984272 1.696956 1.008390
H -1.580621 -1.353447 -1.983982
H -3.390721 1.482677 1.695037
H -3.947397 -1.572846 -1.322138
H -5.715673 -2.004645 0.246231
H -6.170323 -0.727902 -0.957653
H -6.950303 -0.757157 0.670712


%chk=000274796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274796

0 1
O -5.143772 0.089984 0.807302
N 1.259707 -0.332402 0.119364
C 2.706515 -0.332960 -0.209884
C 3.230647 1.105967 -0.447874
C 3.487272 -0.996181 0.949177
C 4.755449 1.119429 -0.712457
C 5.012883 -0.991269 0.695476
C 5.533631 0.443640 0.441235
C 0.334162 -0.058121 -1.004450
C -1.117648 -0.061331 -0.543812
C -1.501462 0.639300 0.632790
C -2.119107 -0.735331 -1.277546
C -2.842022 0.670380 1.053190
C -3.475829 -0.714035 -0.872271
C -3.835871 -0.005399 0.299062
C -6.205220 -0.592857 0.066972
H 2.912153 -0.926265 -1.141781
H 2.993740 1.705007 0.454155
H 2.699534 1.576361 -1.298026
H 3.128859 -2.036843 1.093368
H 3.257835 -0.441437 1.881787
H 5.102656 2.161668 -0.850760
H 4.971372 0.583872 -1.660700
H 5.241740 -1.624005 -0.187175
H 5.538716 -1.444302 1.558179
H 6.617293 0.422986 0.213950
H 5.407956 1.044604 1.365565
H 0.987722 -1.197282 0.608773
H 0.453895 -0.780835 -1.851265
H 0.588944 0.939645 -1.414169
H -0.726048 1.147098 1.215873
H -1.843568 -1.290097 -2.183365
H -3.146934 1.207879 1.956622
H -4.224522 -1.248355 -1.464971
H -6.031197 -1.686311 0.027317
H -6.299625 -0.196623 -0.963325
H -7.127857 -0.385380 0.628976


