%chk=000202898.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202898

0 1
O -0.331512 0.868165 1.317899
O -0.105793 -1.841594 -2.392327
N -2.852883 -0.028491 -1.061191
N -0.133595 -0.462996 -0.546843
C -2.165679 0.990016 -0.218373
C -1.995860 -0.377149 -2.230240
C -4.200862 0.450106 -1.518299
C -0.825832 0.476020 0.286984
C -0.682156 -0.988798 -1.757165
C 1.154881 -0.975402 -0.081282
C 1.274190 -2.293884 0.408778
C -5.111689 0.680812 -0.335571
C 2.256786 -0.111488 -0.133225
C 3.508946 -0.561347 0.306124
C 2.540476 -2.722963 0.837867
C 3.644909 -1.872635 0.788313
C 0.106704 -3.219829 0.454740
C -5.290807 -0.325908 0.625022
C -5.801883 1.894940 -0.211315
C 4.677465 0.345106 0.264579
C -6.154992 -0.116802 1.702275
C -6.669043 2.096495 0.866759
C 4.645065 1.564962 0.959023
C 5.821442 -0.011190 -0.466845
C -6.846584 1.093244 1.824237
C 5.750620 2.418195 0.921593
C 6.922209 0.848656 -0.502491
C 6.889425 2.062698 0.191238
H -2.813220 1.193554 0.675529
H -2.005840 1.975635 -0.711706
H -1.766993 0.469860 -2.916408
H -2.526479 -1.145643 -2.845417
H -4.643022 -0.357176 -2.152546
H -4.143579 1.357683 -2.159365
H 2.142545 0.905522 -0.507458
H 2.661179 -3.737284 1.217224
H 4.617461 -2.223759 1.132525
H 0.313148 -4.136445 1.021029
H -0.773859 -2.747588 0.913521
H -0.179146 -3.524953 -0.567535
H -4.744088 -1.265256 0.530376
H -5.670081 2.682663 -0.949909
H -6.289879 -0.898430 2.448863
H -7.206240 3.039117 0.960505
H 3.759344 1.839121 1.531731
H 5.845593 -0.954093 -1.010835
H -7.520805 1.253372 2.663635
H 5.724804 3.361910 1.463848
H 7.807336 0.571854 -1.072625
H 7.748573 2.729499 0.163154


%chk=000202898-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202898

0 1
O -0.221350 1.125115 1.287885
O -0.032376 -1.581855 -2.523732
N -2.821082 0.227533 -1.093348
N -0.140620 -0.326250 -0.550808
C -2.119139 1.194300 -0.234723
C -1.985229 -0.150638 -2.242810
C -4.190485 0.654954 -1.468495
C -0.768257 0.676279 0.250472
C -0.655328 -0.760722 -1.805370
C 1.126723 -0.893346 -0.087204
C 1.160181 -2.224040 0.404066
C -5.145878 0.680233 -0.278816
C 2.279302 -0.090271 -0.146804
C 3.534583 -0.585359 0.287692
C 2.420160 -2.713546 0.829616
C 3.582053 -1.919076 0.774900
C -0.080256 -3.091270 0.463331
C -5.110119 -0.353697 0.690906
C -6.111199 1.708501 -0.151908
C 4.755911 0.267842 0.238373
C -6.024989 -0.359192 1.766065
C -7.033160 1.701521 0.920675
C 4.675806 1.670914 0.458626
C 6.033040 -0.298169 -0.028779
C -6.992472 0.667048 1.883120
C 5.831144 2.479713 0.410323
C 7.189580 0.509105 -0.074355
C 7.094985 1.903378 0.143736
H -2.721225 1.408384 0.663098
H -1.937531 2.176095 -0.749344
H -1.750681 0.713355 -2.921536
H -2.498295 -0.912381 -2.853157
H -4.556987 -0.073835 -2.219030
H -4.192923 1.656704 -1.967854
H 2.199405 0.922883 -0.553379
H 2.483413 -3.735022 1.222188
H 4.529401 -2.325226 1.146370
H 0.100161 -3.992733 1.072395
H -0.939956 -2.548639 0.896916
H -0.375314 -3.418877 -0.551249
H -4.351542 -1.138734 0.595302
H -6.142282 2.518514 -0.891897
H -5.985465 -1.161255 2.511797
H -7.774698 2.503588 1.007929
H 3.708616 2.124661 0.703702
H 6.115978 -1.371840 -0.232988
H -7.702709 0.662953 2.717466
H 5.747198 3.557045 0.592445
H 8.162141 0.052651 -0.290586
H 7.992465 2.530804 0.107177


