%chk=000281836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281836

0 1
O -0.725008 0.644867 -2.600121
O -2.605121 -1.710405 -0.215725
O 1.453079 -2.958293 -0.845519
O 3.494400 1.833761 -0.499633
O -3.440899 -0.488764 1.540986
N -1.399475 2.672003 -0.358218
N 0.983263 1.476804 0.842769
N 4.006392 -2.899282 -0.009439
N -4.787414 -1.174187 -0.254195
C -1.562458 1.729883 0.788727
C -1.867448 1.277053 -0.627144
C -0.314647 1.289199 1.535513
C -0.953375 0.394254 -1.442344
C -0.398864 -0.881918 -0.801783
C -2.387788 3.758200 -0.517307
C 1.016437 -0.683096 -0.335197
C 1.579241 0.513727 0.099263
C -1.241218 -1.551890 0.287066
C 1.497482 2.870809 0.854097
C 1.846268 -1.853229 -0.501762
C 3.085467 0.727901 -0.217400
C 3.916366 -0.468911 -0.118566
C 3.343663 -1.705990 -0.199464
C 5.385343 -0.252777 0.027950
C -3.613337 -1.082052 0.492660
C -6.077050 -0.984983 0.447057
H -2.423414 1.817076 1.479448
H -2.920893 1.088691 -0.906458
H -0.257928 1.844550 2.504217
H -0.437663 0.202424 1.806909
H -0.355144 -1.626835 -1.663767
H -2.025959 4.637168 0.043347
H -3.414792 3.536997 -0.192636
H -2.417927 4.036186 -1.587880
H -1.245966 -1.005556 1.251832
H -0.909449 -2.598686 0.444423
H 2.436754 2.934793 1.430756
H 0.756010 3.566514 1.276718
H 1.712474 3.220972 -0.179013
H 5.645940 0.812745 -0.095161
H 5.957629 -0.799589 -0.732967
H 5.740135 -0.561424 1.020210
H 3.541698 -3.751934 -0.309167
H 5.012139 -2.917660 -0.019284
H -4.800174 -1.816818 -1.049026
H -6.494519 -1.930682 0.830921
H -6.799909 -0.532931 -0.254747
H -5.956843 -0.293083 1.303553


%chk=000281836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281836

0 1
O -0.497053 1.021854 -2.451476
O -2.615381 -1.594249 -0.284571
O 1.286500 -2.929531 -0.826627
O 3.880902 1.638830 0.692524
O -3.735140 -0.624709 1.567161
N -1.564980 2.933280 -0.274707
N 1.079554 1.729971 0.514524
N 3.916405 -3.041306 -0.483208
N -4.877746 -1.665588 -0.207369
C -1.448930 1.977379 0.890677
C -1.845273 1.472302 -0.480612
C -0.059235 1.709654 1.464811
C -0.871509 0.660310 -1.308896
C -0.375876 -0.680195 -0.716218
C -2.745285 3.833637 -0.289883
C 1.085501 -0.600178 -0.247915
C 1.752715 0.565424 0.157569
C -1.291809 -1.328238 0.342451
C 1.604522 3.087865 0.226245
C 1.839578 -1.829899 -0.447100
C 3.288252 0.572143 0.299412
C 4.029621 -0.657735 0.054547
C 3.336312 -1.818132 -0.265860
C 5.536569 -0.644489 0.190790
C -3.757584 -1.242352 0.467897
C -6.231652 -1.447644 0.307577
H -2.245968 1.995818 1.650196
H -2.897345 1.165661 -0.592024
H 0.157095 2.481376 2.231824
H -0.066365 0.733959 1.982863
H -0.354962 -1.392260 -1.565651
H -2.503305 4.749562 0.277258
H -3.664656 3.378786 0.147272
H -2.954966 4.114057 -1.336381
H -1.454287 -0.715874 1.243199
H -0.870897 -2.308671 0.621014
H 2.104346 3.525013 1.109910
H 0.737477 3.698154 -0.082948
H 2.331937 3.047231 -0.594332
H 5.867430 0.360985 0.494467
H 6.039578 -0.898090 -0.764002
H 5.886701 -1.364095 0.958292
H 3.288191 -3.803696 -0.753285
H 4.921009 -3.182254 -0.424677
H -4.729432 -2.172379 -1.080737
H -6.751233 -2.407051 0.486770
H -6.835457 -0.839583 -0.391251
H -6.148369 -0.909453 1.264977


