%chk=000216128.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216128

0 1
O -1.146502 -2.588222 -0.177504
O -1.658576 -1.437127 -2.058750
N -4.420253 -1.239882 0.561965
C 1.360596 -0.420329 -1.016056
C 0.665558 -1.751863 -1.373739
C 1.276226 -0.887355 -2.461487
C 2.681265 -0.492154 -0.313501
C 0.531807 0.733988 -0.547465
C -0.817866 -1.857687 -1.298832
C 3.762368 0.263879 -0.788978
C -0.101101 0.670817 0.704248
C 2.840447 -1.289778 0.828445
C 0.398562 1.885948 -1.332981
C -2.563898 -2.799740 0.116068
C 4.993314 0.216825 -0.133083
C -0.870913 1.741397 1.156354
C 4.071525 -1.336902 1.484138
C -0.371100 2.960167 -0.879220
C -3.048266 -1.647655 1.004177
C 5.158112 -0.585452 1.007653
C -1.013864 2.895205 0.365812
C -5.109676 -0.402494 1.601820
C -4.380926 -0.370630 -0.663019
C -4.872331 1.085979 1.258385
C -4.387859 1.103822 -0.203314
C 6.471211 -0.626708 1.719294
C -1.845298 4.034934 0.858179
H 1.169230 -2.686836 -1.082445
H 0.606280 -0.374685 -3.155965
H 2.173075 -1.235063 -2.971625
H 3.638530 0.892249 -1.670006
H 0.013528 -0.220782 1.321780
H 2.001109 -1.873836 1.205875
H 0.893507 1.946652 -2.301283
H -2.539433 -3.770382 0.638901
H -3.129297 -2.890639 -0.830293
H 5.826772 0.807541 -0.507684
H -1.360900 1.684783 2.126074
H 4.187079 -1.958187 2.369982
H -0.470880 3.849005 -1.498939
H -2.308561 -0.815414 0.973505
H -3.094268 -1.983882 2.061748
H -4.783936 -0.653615 2.625688
H -6.190497 -0.652402 1.536140
H -5.291656 -0.608055 -1.250884
H -3.510029 -0.600989 -1.312711
H -5.795130 1.673183 1.385391
H -4.119866 1.532043 1.928326
H -3.376405 1.541012 -0.280780
H -5.042699 1.715389 -0.842652
H 7.315818 -0.402757 1.054401
H 6.669973 -1.608776 2.168957
H 6.494396 0.113612 2.533189
H -1.455892 4.431181 1.807029
H -2.884778 3.723122 1.036602
H -1.879030 4.873547 0.150667


%chk=000216128-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216128

0 1
O -1.192819 -2.723322 -0.444448
O -1.508229 -1.070534 -2.069383
N -4.532684 -1.345996 0.612880
C 1.471954 -0.389225 -1.046647
C 0.748935 -1.743568 -1.399115
C 1.441220 -0.907917 -2.482456
C 2.774757 -0.521618 -0.277058
C 0.630152 0.809876 -0.650128
C -0.736816 -1.783158 -1.379707
C 3.875268 0.305202 -0.621797
C 0.191680 0.943242 0.693754
C 2.920801 -1.413574 0.811715
C 0.278285 1.824526 -1.569946
C -2.671740 -2.737391 -0.230816
C 5.085137 0.233619 0.097143
C -0.585004 2.048150 1.095541
C 4.135750 -1.482949 1.531597
C -0.495365 2.935082 -1.163727
C -3.075350 -1.610513 0.743248
C 5.238295 -0.661873 1.189734
C -0.948276 3.064808 0.172349
C -5.127898 -0.654967 1.792679
C -4.845875 -0.418012 -0.521997
C -4.820989 0.867703 1.605061
C -4.757475 1.044698 0.052019
C 6.542897 -0.725422 1.965593
C -1.810943 4.238605 0.603426
H 1.239994 -2.650966 -1.040271
H 0.767548 -0.422845 -3.195284
H 2.368001 -1.307844 -2.903329
H 3.776586 1.006883 -1.458786
H 0.470333 0.179495 1.429332
H 2.083743 -2.062318 1.096832
H 0.604627 1.748205 -2.612862
H -2.886693 -3.735967 0.176908
H -3.176703 -2.606064 -1.202480
H 5.924549 0.879441 -0.190179
H -0.910904 2.129737 2.140471
H 4.227849 -2.184656 2.369574
H -0.756084 3.708375 -1.896711
H -2.446121 -0.714884 0.532782
H -2.864725 -1.924852 1.781475
H -4.736346 -1.076799 2.734150
H -6.222838 -0.820332 1.775058
H -5.872244 -0.629202 -0.875366
H -4.147894 -0.582033 -1.359955
H -5.590118 1.505829 2.075293
H -3.847373 1.121456 2.063722
H -3.815604 1.532094 -0.255101
H -5.591614 1.663244 -0.324339
H 7.405333 -0.888650 1.292867
H 6.533065 -1.542919 2.706867
H 6.731051 0.219216 2.510793
H -1.500101 4.630523 1.588933
H -2.874107 3.939397 0.692036
H -1.760274 5.066963 -0.124350


