%chk=000245428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245428

0 1
O 6.096582 -0.544698 -0.067913
N -1.239571 -0.267568 0.088418
C 1.230018 -0.318160 -0.006307
C 2.516848 0.516000 -0.000308
C -0.014432 0.584439 -0.020298
C -2.488893 0.550473 -0.009208
C -3.708371 -0.385090 -0.009143
C 3.756004 -0.383616 -0.010932
C -5.018579 0.413008 -0.006976
C 5.043460 0.440649 0.016686
C -6.236816 -0.507602 -0.013083
H 1.196400 -0.977402 0.885959
H 1.221597 -0.998641 -0.879113
H 2.533362 1.172028 0.892334
H 2.532783 1.192122 -0.877340
H -0.009167 1.231140 -0.924181
H 0.001926 1.265081 0.860210
H -2.511572 1.209551 -0.903822
H -2.524582 1.217834 0.880832
H -3.664593 -1.048606 0.878848
H -3.677652 -1.059634 -0.885503
H 3.763099 -1.038995 -0.905809
H 3.747378 -1.079492 0.852503
H -1.233161 -0.977450 -0.652172
H -5.054510 1.085314 -0.886427
H -5.055484 1.073265 0.882104
H 5.127913 1.120402 -0.849127
H 5.158936 1.010234 0.954737
H -7.168871 0.068434 -0.004771
H -6.254929 -1.149178 -0.901369
H -6.249736 -1.164694 0.864451
H 6.966510 -0.113552 0.006022


%chk=000245428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245428

0 1
O 6.218119 -0.576714 -0.004500
N -1.251340 -0.221156 -0.009095
C 1.238396 -0.302611 0.001807
C 2.555190 0.505647 -0.003873
C -0.016291 0.591897 -0.010991
C -2.509278 0.557002 -0.008676
C -3.739739 -0.370614 -0.000969
C 3.807466 -0.400096 0.001112
C -5.078461 0.401802 -0.007768
C 5.112820 0.399124 0.006119
C -6.307105 -0.533278 0.000480
H 1.196754 -0.956911 0.893869
H 1.220434 -0.973741 -0.883560
H 2.575526 1.174653 0.882157
H 2.577381 1.166706 -0.895887
H 0.040332 1.293481 -0.884775
H -0.024819 1.225956 0.898881
H -2.583935 1.260246 -0.879656
H -2.519398 1.187384 0.903721
H -3.683513 -1.026182 0.889744
H -3.702552 -1.039330 -0.888003
H 3.801791 -1.058532 -0.889242
H 3.793891 -1.060617 0.889461
H -1.242681 -0.909527 -0.776517
H -5.118956 1.059789 -0.899972
H -5.116802 1.071959 0.875275
H 5.159686 1.056648 -0.890279
H 5.162047 1.041882 0.912912
H -7.252674 0.039536 -0.000437
H -6.309320 -1.191824 -0.888718
H -6.304298 -1.181804 0.896712
H 7.083227 -0.095178 0.019971


