%chk=000250637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250637

0 1
O -3.948272 -0.657458 -0.413150
O -2.983683 2.700298 -1.287398
O -1.660757 -0.017309 2.239732
O -5.893170 -0.301201 0.689286
O 4.105280 0.083986 -0.486550
O 7.379955 -1.125465 -0.172402
O 6.440407 0.140026 -1.665232
N -2.651244 1.393838 0.621559
N -0.435401 0.870667 0.394318
N 0.742559 0.314823 0.691174
N 6.430189 -0.523747 -0.646596
C -0.767801 1.754303 -0.767640
C -4.049923 1.235074 1.041273
C -2.260987 2.040783 -0.594956
C -1.595430 0.628696 1.235465
C -4.485714 -1.897859 -1.046274
C -4.755289 0.021917 0.444735
C -3.588077 -2.050799 -2.259903
C -4.366743 -3.015255 -0.029195
C 1.806310 0.501182 -0.049237
C 3.028288 -0.155088 0.379973
C 3.412395 -0.964195 1.433777
C 5.178493 -0.621097 0.086995
C 4.796816 -1.264984 1.246684
H -0.176797 2.697771 -0.751410
H -0.573571 1.251723 -1.742072
H -4.099656 1.155793 2.159599
H -4.624379 2.155471 0.751971
H -5.544077 -1.686890 -1.318448
H -2.535313 -2.175606 -1.974132
H -3.643075 -1.168888 -2.911911
H -3.875400 -2.926392 -2.855318
H -3.356703 -3.074715 0.397949
H -5.062688 -2.866170 0.809949
H -4.594511 -3.991652 -0.473106
H 1.896209 1.099819 -0.968390
H 2.787299 -1.304110 2.244058
H 5.417261 -1.874287 1.886520


%chk=000250637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250637

0 1
O -3.990674 -0.706853 -0.427415
O -2.890755 2.658989 -1.337129
O -1.619353 -0.113171 2.242918
O -5.967871 -0.114766 0.673867
O 4.237868 0.201190 -0.455254
O 7.592389 -0.979876 -0.013438
O 6.672833 0.360709 -1.645336
N -2.570075 1.309283 0.582962
N -0.366062 0.821778 0.414326
N 0.828638 0.265406 0.768959
N 6.599625 -0.346962 -0.565406
C -0.662106 1.695028 -0.744160
C -3.951645 1.223893 1.037649
C -2.165268 1.973790 -0.583669
C -1.519161 0.574823 1.212934
C -4.671452 -1.904335 -1.068126
C -4.758491 0.071184 0.417912
C -3.873159 -2.182840 -2.341793
C -4.676240 -3.058392 -0.057734
C 1.889593 0.502871 0.014090
C 3.148696 -0.087714 0.396370
C 3.577609 -0.911666 1.449134
C 5.336133 -0.462939 0.100412
C 4.973849 -1.149657 1.258591
H -0.086103 2.638641 -0.713542
H -0.469265 1.188222 -1.707986
H -3.961579 1.085681 2.132782
H -4.472177 2.166248 0.796675
H -5.706514 -1.589937 -1.297820
H -2.830219 -2.452995 -2.099445
H -3.866545 -1.301016 -3.004870
H -4.330707 -3.026326 -2.889280
H -3.646092 -3.313910 0.246561
H -5.261405 -2.796563 0.839315
H -5.135313 -3.952371 -0.517695
H 1.898632 1.122950 -0.897082
H 2.940768 -1.283332 2.248065
H 5.644398 -1.742064 1.875356


