%chk=000233493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233493

0 1
O 5.402190 1.681170 0.554133
O -5.021153 -1.186467 0.579894
O -3.978218 2.721581 -0.310534
O -5.521593 1.300016 0.206579
N -4.340403 1.592626 -0.042110
C 3.196017 0.764759 0.141961
C 2.763748 -0.615601 -0.454779
C 1.346683 -0.968559 0.008630
C 0.385691 0.102651 -0.587311
C 4.683093 0.808997 -0.330590
C 2.279507 1.842191 -0.461344
C 3.935186 -1.553158 -0.113965
C 0.806141 1.524830 -0.149303
C 5.189090 -0.653621 -0.220632
C 0.899142 -2.359757 -0.459901
C 3.155834 0.828328 1.672998
C -1.056108 -0.211188 -0.243413
C -0.480309 -2.688404 0.118152
C -1.459829 -1.551695 0.057015
C -2.012742 0.785966 -0.275901
C -2.793370 -1.835968 0.326993
C -3.380261 0.518086 -0.002022
C -3.762869 -0.810752 0.303264
H 2.738031 -0.521535 -1.571723
H 1.294736 -0.931044 1.123093
H 0.464352 0.053397 -1.706478
H 4.786912 1.208423 -1.358564
H 2.430427 1.917926 -1.553373
H 2.543203 2.836694 -0.052227
H 3.989618 -2.409488 -0.803034
H 3.834409 -1.971516 0.901598
H 0.626294 1.644046 0.938226
H 0.164471 2.277008 -0.648632
H 5.827459 -0.763808 0.673239
H 5.807037 -0.930061 -1.087342
H 1.630335 -3.127432 -0.143116
H 0.873172 -2.407011 -1.565571
H 3.645000 1.750152 2.023097
H 2.134395 0.818759 2.063590
H 3.703059 -0.003140 2.128902
H -0.374118 -2.997736 1.183665
H -0.897187 -3.578625 -0.400774
H 6.339199 1.733237 0.291467
H -1.741738 1.822988 -0.518409
H -3.127327 -2.847386 0.562134
H -5.695902 -0.394378 0.547715


%chk=000233493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233493

0 1
O 5.479319 1.844211 0.274483
O -5.157921 -1.215682 0.472389
O -4.008574 2.787296 -0.204026
O -5.663953 1.275692 0.217605
N -4.387780 1.577500 0.004938
C 3.241059 0.766851 0.158323
C 2.787025 -0.618764 -0.400188
C 1.351361 -0.979499 0.018976
C 0.388803 0.118492 -0.537210
C 4.697319 0.785160 -0.376650
C 2.308531 1.854668 -0.422388
C 3.956975 -1.578266 -0.048701
C 0.816751 1.553275 -0.111004
C 5.229379 -0.661477 -0.108373
C 0.890492 -2.359750 -0.494471
C 3.261372 0.835123 1.708470
C -1.079261 -0.209501 -0.226501
C -0.495560 -2.713605 0.081140
C -1.499424 -1.567652 0.019491
C -2.059775 0.793840 -0.219720
C -2.857563 -1.859765 0.244739
C -3.425550 0.495035 0.013525
C -3.851918 -0.855626 0.247987
H 2.773337 -0.517632 -1.511284
H 1.287931 -0.989509 1.128416
H 0.500863 0.072848 -1.646655
H 4.666727 0.971881 -1.474770
H 2.446233 1.897244 -1.523981
H 2.577679 2.851778 -0.025754
H 4.022112 -2.425812 -0.753926
H 3.823934 -2.006631 0.962723
H 0.614307 1.689271 0.969060
H 0.199723 2.304180 -0.639821
H 5.767629 -0.665726 0.857369
H 5.940376 -0.989572 -0.888551
H 1.615983 -3.143324 -0.206472
H 0.854157 -2.343206 -1.603182
H 3.756250 1.769663 2.021947
H 2.244981 0.819023 2.136857
H 3.825981 -0.001871 2.156174
H -0.377210 -3.002086 1.146904
H -0.919178 -3.601243 -0.426335
H 6.389380 1.859767 -0.113880
H -1.805113 1.841404 -0.395503
H -3.183744 -2.888674 0.428276
H -5.712142 -0.353825 0.434849


