%chk=000239458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239458

0 1
O -0.564080 -1.727010 1.253889
O -1.452505 -1.122067 -0.732672
O -0.800221 2.107299 0.220012
O 5.012944 -0.042742 -0.810889
O 3.959110 -1.879187 -0.368968
O -2.646375 -1.880022 2.137055
O -3.181534 0.343795 -0.767864
O -0.371970 4.238523 -0.487525
N 4.006078 -0.668840 -0.520420
C 0.392954 0.119888 0.158827
C -0.904519 -0.554210 0.491275
C 0.425289 1.530148 0.008875
C 1.573787 -0.596770 -0.023349
C 2.759699 0.091299 -0.337965
C 1.602878 2.218565 -0.311048
C 2.775874 1.491928 -0.483719
C -1.539534 -2.341355 2.041999
C -2.643474 -0.628165 -1.240208
C -1.176888 3.436658 -0.116122
C -0.931737 -3.542136 2.667000
C -3.043360 -1.466382 -2.399240
C -2.637574 3.486791 0.103562
H -1.666589 0.072023 1.008644
H 1.576806 -1.692118 0.081953
H 1.594979 3.308055 -0.427531
H 3.717348 1.998588 -0.733317
H -1.441134 -4.459697 2.327469
H 0.139658 -3.651920 2.424535
H -1.025906 -3.505460 3.764892
H -3.249206 -0.845242 -3.285513
H -3.966087 -2.026973 -2.172281
H -2.269464 -2.203804 -2.673921
H -3.120777 2.497751 -0.084326
H -3.117973 4.225660 -0.557505
H -2.885895 3.751932 1.144996


%chk=000239458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239458

0 1
O -0.495178 -1.735832 1.375021
O -1.366268 -1.213044 -0.742337
O -0.713802 2.191974 0.505306
O 5.129343 0.061495 -0.981655
O 4.038513 -1.903948 -0.592697
O -2.775874 -1.975629 1.843912
O -3.005318 0.454090 -0.867716
O -0.712392 3.693765 -1.310946
N 4.073358 -0.615685 -0.674431
C 0.471677 0.122718 0.200425
C -0.812515 -0.606787 0.507386
C 0.486533 1.541837 0.140267
C 1.660143 -0.585077 -0.066091
C 2.824648 0.133840 -0.397868
C 1.659625 2.254077 -0.199565
C 2.841744 1.544853 -0.472929
C -1.606493 -2.374644 1.996034
C -2.530273 -0.623039 -1.282334
C -1.291177 3.230708 -0.317493
C -1.129173 -3.554812 2.803405
C -3.073581 -1.481309 -2.397985
C -2.651740 3.564349 0.225002
H -1.589689 0.040692 0.946956
H 1.684983 -1.675804 -0.013708
H 1.640731 3.344198 -0.247118
H 3.769688 2.058581 -0.735907
H -0.806335 -4.362046 2.121400
H -0.257390 -3.277521 3.418425
H -1.945480 -3.924889 3.439925
H -3.764483 -0.892471 -3.018552
H -3.624307 -2.334759 -1.961968
H -2.254917 -1.890350 -3.011110
H -3.323064 2.716707 -0.004259
H -3.031807 4.481352 -0.247225
H -2.619128 3.677215 1.321027


