%chk=000187602.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187602

0 1
O 0.683067 1.524036 0.052046
O 0.598890 -0.672717 -2.908051
O 1.534455 -1.510373 2.750506
O 0.311718 2.952408 1.772810
O -3.523814 0.904830 -2.205594
N -1.010366 -0.448108 0.851082
N -1.163171 -0.201320 -1.558942
N -3.029153 0.302084 -0.046437
C 0.417031 -0.786445 0.736500
C 0.751780 -1.489456 -0.608126
C 1.268980 0.508343 0.939944
C 2.255931 -1.709087 -0.808849
C 3.131241 -0.588237 -0.316916
C 2.684527 0.387926 0.484296
C 0.140033 -0.741746 -1.792671
C 0.696101 -1.767772 1.924064
C -1.673500 -0.120314 -0.234549
C 4.553029 -0.658279 -0.772654
C -0.135921 -3.011081 1.965698
C 0.240080 2.712663 0.592792
C -3.896397 0.799222 -1.053890
C -0.287554 3.558852 -0.513807
C -5.258588 1.165489 -0.556279
H 0.252810 -2.500531 -0.611171
H 1.188223 0.858409 2.000432
H 2.452693 -1.881881 -1.894630
H 2.563453 -2.646456 -0.296235
H 3.335207 1.187285 0.838504
H -1.673464 0.241596 -2.348933
H 4.630781 -0.424417 -1.845688
H 4.987991 -1.655028 -0.620585
H 5.200747 0.055432 -0.244245
H -1.182026 -2.754448 2.209535
H -0.152994 -3.553135 1.013599
H 0.218683 -3.700714 2.746183
H -3.345154 0.273940 0.935282
H -1.298288 3.924811 -0.283156
H -0.325161 3.019161 -1.474981
H 0.353600 4.442977 -0.662123
H -5.877292 1.541874 -1.391510
H -5.236196 1.960788 0.203816
H -5.798012 0.308419 -0.125666


%chk=000187602-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187602

0 1
O 0.520777 1.579177 0.102048
O 0.601793 -0.670220 -2.977992
O 1.765549 -1.680165 2.560187
O 1.071378 3.170194 1.722307
O -3.604971 0.659987 -2.366381
N -1.079187 -0.509921 0.834590
N -1.196651 -0.258059 -1.572134
N -3.082381 0.138986 -0.146494
C 0.372481 -0.802351 0.724041
C 0.733663 -1.491826 -0.641210
C 1.201778 0.503367 0.926954
C 2.247429 -1.706120 -0.836689
C 3.115160 -0.559822 -0.347442
C 2.632302 0.410045 0.472563
C 0.091620 -0.746135 -1.832134
C 0.718587 -1.801112 1.877933
C -1.715797 -0.231606 -0.273263
C 4.563301 -0.601266 -0.782790
C -0.287479 -2.908065 2.148591
C 0.553516 2.878595 0.620810
C -3.958275 0.559161 -1.148927
C -0.082949 3.850163 -0.350888
C -5.368137 0.889073 -0.689153
H 0.233608 -2.485566 -0.650252
H 1.147200 0.827312 1.981095
H 2.433695 -1.874872 -1.914736
H 2.563460 -2.631780 -0.313167
H 3.290890 1.206889 0.838626
H -1.789932 0.118243 -2.334861
H 4.643808 -0.538236 -1.885744
H 5.040162 -1.555218 -0.482117
H 5.147628 0.225259 -0.344721
H -1.107400 -2.484711 2.758344
H -0.754383 -3.294797 1.226616
H 0.195566 -3.722406 2.711068
H -3.396718 0.126826 0.827372
H -0.462846 4.726566 0.195867
H -0.889890 3.369082 -0.925471
H 0.682142 4.194884 -1.070550
H -5.624735 1.909078 -1.021409
H -5.505471 0.820089 0.402728
H -6.076290 0.200280 -1.181813


