%chk=000240914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240914

0 1
O -4.174380 -2.579975 1.414607
O -2.425518 1.812408 -2.881145
O -0.522978 -0.908283 2.665948
N -1.573337 -0.709624 -0.341257
C -0.394802 -1.578469 -0.009197
C -2.851032 -1.484002 -0.285695
C -1.407262 0.012076 -1.636538
C 0.667821 -0.727053 0.637906
C -3.364402 -1.415383 1.175004
C -2.184691 1.349360 -1.539535
C 1.812687 -0.250967 -0.078716
C 0.539739 -0.370950 1.974000
C 2.742000 0.609130 0.570858
C -4.150138 -0.143739 1.465268
C -1.444085 2.400253 -0.725727
C 2.073632 -0.627141 -1.438641
C 1.465114 0.487642 2.639330
C 2.538543 0.972864 1.938409
C 3.878130 1.096016 -0.151944
C 3.173161 -0.151356 -2.104661
C 4.087929 0.729962 -1.456462
H 0.008942 -2.124844 -0.889720
H -0.715468 -2.361523 0.722957
H -2.743024 -2.549977 -0.581272
H -3.600671 -1.052851 -0.980342
H -1.768836 -0.555329 -2.520283
H -0.332095 0.222538 -1.818209
H -2.527493 -1.558230 1.904556
H -3.222264 1.191801 -1.164007
H -3.497467 0.734544 1.357752
H -4.998997 -0.005184 0.789345
H -4.539765 -0.148447 2.489853
H -1.261219 2.026405 0.293657
H -0.465186 2.647802 -1.148889
H -2.020728 3.328362 -0.652022
H 1.381445 -1.313845 -1.928618
H 1.305001 0.745432 3.682240
H 3.257506 1.639124 2.416592
H 4.573420 1.761342 0.359152
H -5.036900 -2.515356 0.969808
H -1.617710 2.175024 -3.284919
H 3.369578 -0.440855 -3.136535
H 4.948695 1.095762 -2.012395
H -0.540297 -0.606765 3.606587


%chk=000240914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240914

0 1
O -4.537342 -2.757507 0.974998
O -2.288106 2.025173 -2.877087
O -0.590003 -0.420111 2.672850
N -1.619426 -0.706946 -0.336175
C -0.416449 -1.469565 0.103238
C -2.841186 -1.546196 -0.354255
C -1.429315 0.115653 -1.553018
C 0.691443 -0.575662 0.641798
C -3.504410 -1.695972 1.039589
C -2.267783 1.419131 -1.525231
C 1.883682 -0.246401 -0.104429
C 0.558210 -0.055854 1.941695
C 2.892469 0.618367 0.487164
C -4.077470 -0.378529 1.577358
C -1.776187 2.414407 -0.464740
C 2.133216 -0.741959 -1.433150
C 1.542306 0.799753 2.527189
C 2.687773 1.130321 1.807770
C 4.076956 0.944948 -0.252105
C 3.298039 -0.408760 -2.127663
C 4.283822 0.443417 -1.537226
H -0.033783 -2.132487 -0.707883
H -0.742771 -2.135625 0.920920
H -2.638857 -2.573376 -0.743051
H -3.576427 -1.084239 -1.043272
H -1.688391 -0.436920 -2.488130
H -0.361733 0.396716 -1.626221
H -2.769956 -2.098637 1.756919
H -3.329430 1.170781 -1.348657
H -3.268079 0.367274 1.652928
H -4.858937 0.022604 0.899850
H -4.525538 -0.529322 2.575016
H -1.759305 1.925443 0.525043
H -0.743513 2.748803 -0.690432
H -2.431124 3.302059 -0.423759
H 1.400950 -1.398432 -1.912701
H 1.392439 1.187326 3.543678
H 3.447877 1.783750 2.250798
H 4.823560 1.598230 0.215603
H -5.303504 -2.413187 0.447385
H -1.389211 2.401403 -3.061788
H 3.461049 -0.804152 -3.136505
H 5.192381 0.695756 -2.094250
H -0.555339 -0.043779 3.587041


