%chk=000243969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243969

0 1
O -1.246917 -1.154628 -1.413330
N 0.296300 -0.170266 -0.078405
C 0.683563 0.674453 1.072467
C 1.388428 -0.747564 -0.906236
C 1.015651 2.149281 0.715239
C 2.038095 -2.024782 -0.314522
C -1.028362 -0.442830 -0.439410
C -0.020510 2.764356 -0.227573
C 2.427656 2.275159 0.133914
C 0.982934 -3.022404 0.167750
C 3.041683 -1.691664 0.795354
C -2.134414 0.165555 0.400855
C -3.511876 -0.223849 -0.151532
C -4.642676 0.383662 0.671249
H 1.574637 0.205013 1.566518
H -0.122591 0.657565 1.837744
H 2.163836 0.037908 -1.073022
H 0.960573 -1.000755 -1.909390
H 0.989100 2.719995 1.680206
H 2.605405 -2.503227 -1.156007
H 0.119901 3.845581 -0.325779
H -1.046775 2.588922 0.128413
H 0.046950 2.333252 -1.235086
H 2.558879 1.616310 -0.739554
H 3.193622 2.003519 0.867044
H 2.634741 3.299048 -0.195576
H 1.415092 -4.011179 0.344967
H 0.179161 -3.132898 -0.576426
H 0.507346 -2.694199 1.097722
H 2.574792 -1.090548 1.590169
H 3.894962 -1.124945 0.410266
H 3.433203 -2.602598 1.261002
H -2.042248 -0.165725 1.454166
H -2.029829 1.275803 0.412820
H -3.601318 -1.329674 -0.177598
H -3.589282 0.093501 -1.212061
H -5.619656 0.095160 0.264589
H -4.602640 1.478481 0.673919
H -4.613518 0.048715 1.714034


%chk=000243969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243969

0 1
O -1.094670 -1.083758 -1.497282
N 0.437609 -0.084066 -0.056959
C 0.777458 0.880491 1.017513
C 1.544590 -0.769599 -0.781636
C 1.103907 2.348937 0.583693
C 2.005365 -2.133495 -0.181173
C -0.871084 -0.369127 -0.466790
C -0.082072 3.066087 -0.100890
C 2.377233 2.471884 -0.288422
C 0.867770 -3.178382 -0.118795
C 2.696722 -1.997367 1.197653
C -2.035216 0.148466 0.398684
C -3.406758 -0.326478 -0.123998
C -4.567443 0.190904 0.751555
H 1.657163 0.487575 1.558733
H -0.054162 0.912207 1.743843
H 2.411890 -0.089067 -0.816873
H 1.191646 -0.943330 -1.813498
H 1.310611 2.873055 1.543125
H 2.768686 -2.503005 -0.901176
H 0.210663 4.087561 -0.406542
H -0.953262 3.157236 0.573906
H -0.399735 2.522668 -1.010098
H 2.207836 2.070507 -1.304197
H 3.236429 1.937331 0.159435
H 2.662426 3.534761 -0.397284
H 1.262198 -4.160283 0.204548
H 0.371887 -3.294159 -1.097124
H 0.093791 -2.869064 0.608248
H 1.970392 -1.707152 1.980123
H 3.509054 -1.245197 1.179035
H 3.138370 -2.963928 1.503987
H -1.894501 -0.204713 1.442030
H -2.022405 1.253122 0.444510
H -3.417821 -1.430777 -0.165825
H -3.531180 0.012152 -1.168641
H -5.542485 -0.155712 0.363175
H -4.590945 1.297532 0.776904
H -4.476059 -0.166316 1.795405


