%chk=000222188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222188

0 1
O -0.167852 -0.715376 -1.043404
O 0.129738 -0.527537 1.187260
N -3.808214 -0.678638 -0.262098
C -4.943521 0.281550 -0.519030
C -3.890054 -1.158962 1.161141
C -5.968054 0.051405 0.620141
C -5.398911 -1.072194 1.499043
C -2.489689 -0.138297 -0.691501
C -5.530045 -0.020313 -1.901814
C -3.046504 -0.389809 2.181681
C -1.511002 -1.316959 -0.859014
C 3.051420 -0.554085 0.273159
C 1.878639 0.227383 -0.387118
C 2.909631 -2.066793 0.000393
C -1.710426 -2.114266 -2.132000
C 4.189241 -2.809597 0.402529
C 0.551522 -0.360893 0.063914
C 4.374339 -0.022120 -0.215614
C 5.396671 -2.298027 -0.397456
C 1.910949 1.698651 -0.039052
C 5.423726 -0.801505 -0.492931
C 1.640402 2.132129 1.268021
C 2.226592 2.637977 -1.031824
C 1.690662 3.492837 1.577701
C 2.275775 3.998780 -0.715611
C 2.009851 4.428625 0.587926
H -4.599294 1.345581 -0.494479
H -3.554790 -2.226851 1.144916
H -6.961835 -0.218447 0.227489
H -6.106744 0.976302 1.204176
H -5.570696 -0.880160 2.569179
H -5.893550 -2.032006 1.268435
H -2.054495 0.608687 0.009190
H -2.611080 0.386384 -1.664808
H -6.389066 0.620153 -2.119551
H -4.785865 0.127714 -2.692019
H -5.855866 -1.066446 -1.970016
H -3.301555 0.673870 2.207743
H -3.189468 -0.787389 3.191443
H -1.967667 -0.466207 1.967154
H -1.468786 -1.957768 0.048296
H 3.006875 -0.386281 1.382319
H 1.958657 0.099821 -1.502009
H 2.697518 -2.243066 -1.071741
H 2.046546 -2.475033 0.559986
H -2.765301 -2.418247 -2.220804
H -1.457720 -1.523976 -3.022428
H -1.088210 -3.015365 -2.152274
H 4.061821 -3.896453 0.245660
H 4.375664 -2.674623 1.485986
H 4.434639 1.063241 -0.299905
H 6.334737 -2.667460 0.062646
H 5.376285 -2.719752 -1.424821
H 6.372972 -0.379859 -0.822296
H 1.378188 1.402413 2.038557
H 2.434179 2.311891 -2.049608
H 1.479722 3.824705 2.593282
H 2.521591 4.725044 -1.488618
H 2.049511 5.488218 0.831877


%chk=000222188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222188

0 1
O -0.179439 -0.786567 -1.154601
O 0.259752 -0.747837 1.138625
N -3.829332 -0.563749 -0.187055
C -4.914653 0.462246 -0.336853
C -3.966037 -1.248814 1.136871
C -5.989106 0.050211 0.718781
C -5.505816 -1.316839 1.277418
C -2.487600 -0.121958 -0.598672
C -5.456662 0.494810 -1.780778
C -3.282729 -0.533699 2.334304
C -1.563393 -1.327455 -0.891788
C 3.125266 -0.621652 0.287280
C 1.950105 0.103570 -0.461839
C 3.121431 -2.144654 -0.005181
C -1.959615 -2.123862 -2.130754
C 4.414938 -2.814245 0.511415
C 0.614645 -0.514696 -0.044456
C 4.466041 -0.002399 -0.079100
C 5.659108 -2.239631 -0.206177
C 1.906262 1.614784 -0.196023
C 5.592712 -0.726344 -0.313773
C 1.648494 2.122990 1.103954
C 2.143451 2.528361 -1.252846
C 1.634891 3.515414 1.338099
C 2.130362 3.922487 -1.019910
C 1.876993 4.421098 0.278383
H -4.526089 1.478945 -0.086904
H -3.542703 -2.270246 1.059430
H -6.993689 -0.019695 0.266220
H -6.042838 0.801352 1.527143
H -5.822825 -1.487861 2.320919
H -5.895977 -2.143604 0.657070
H -1.991119 0.529253 0.158792
H -2.583113 0.472807 -1.526094
H -6.216342 1.291062 -1.896711
H -4.649046 0.689206 -2.511075
H -5.917470 -0.476849 -2.034482
H -3.677146 0.490156 2.474843
H -3.472523 -1.102339 3.263830
H -2.187433 -0.472138 2.201690
H -1.493021 -1.969929 0.005348
H 2.939777 -0.473357 1.373192
H 2.068997 -0.060379 -1.547729
H 3.042180 -2.304013 -1.100721
H 2.235692 -2.615663 0.460802
H -3.015410 -2.429769 -2.028886
H -1.862621 -1.502257 -3.038645
H -1.329245 -3.021501 -2.250782
H 4.363388 -3.910600 0.369834
H 4.505058 -2.632508 1.600964
H 4.504681 1.093062 -0.147398
H 6.582790 -2.535184 0.330799
H 5.749813 -2.678457 -1.223212
H 6.518363 -0.200808 -0.589353
H 1.443376 1.425712 1.924400
H 2.339850 2.144716 -2.261406
H 1.433434 3.894925 2.346364
H 2.316938 4.615579 -1.848096
H 1.866005 5.501408 0.461931


