%chk=000229290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229290

0 1
O 1.976713 0.052287 0.142090
O 0.266803 -2.470981 -0.983934
O 0.613462 0.990936 1.683214
N -0.789260 -1.293933 0.672031
C -2.658944 -0.214876 -0.600279
C -2.146043 -1.480933 0.102973
C -2.884551 0.954215 0.367139
C 1.679101 -1.300649 0.624633
C 0.335067 -1.738766 -0.013009
C -3.486099 2.163925 -0.344161
C 2.837671 -2.129497 0.114249
C 1.397952 1.129691 0.768984
C 1.892153 2.381419 0.139360
H -3.604463 -0.457253 -1.124914
H -1.949653 0.084639 -1.397350
H -2.121655 -2.331588 -0.621580
H -2.826856 -1.777599 0.931536
H -1.925821 1.242946 0.845909
H -3.550384 0.638028 1.194016
H 1.623688 -1.273539 1.736074
H -0.706907 -0.573741 1.399991
H -4.465533 1.932441 -0.778434
H -3.625865 3.000578 0.349996
H -2.843112 2.516314 -1.158388
H 3.800966 -1.657858 0.345411
H 2.785517 -2.253841 -0.981526
H 2.827648 -3.137865 0.548070
H 1.054356 2.973334 -0.264830
H 2.595270 2.188384 -0.688753
H 2.408979 3.014979 0.878582


%chk=000229290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229290

0 1
O 2.063106 0.078775 0.068924
O 0.267513 -2.517950 -1.063964
O 0.716059 1.017538 1.726506
N -0.745825 -1.218595 0.598296
C -2.768447 -0.259373 -0.569148
C -2.129674 -1.466955 0.157934
C -2.956019 0.988208 0.324689
C 1.711276 -1.317786 0.545669
C 0.344285 -1.740692 -0.064912
C -3.632058 2.156450 -0.425132
C 2.852459 -2.215339 0.091010
C 1.525576 1.151379 0.769760
C 2.038885 2.471685 0.243888
H -3.756911 -0.579864 -0.957927
H -2.148585 -0.003228 -1.451026
H -2.094734 -2.340019 -0.516262
H -2.739158 -1.735653 1.043473
H -1.974120 1.323470 0.715456
H -3.567573 0.713562 1.209135
H 1.627393 -1.262542 1.647786
H -0.560809 -0.530052 1.339732
H -4.629967 1.862040 -0.801635
H -3.764053 3.035548 0.231904
H -3.026732 2.471808 -1.296064
H 3.816739 -1.829935 0.462872
H 2.873546 -2.278464 -1.008255
H 2.699727 -3.236631 0.481188
H 1.185741 3.097255 -0.071114
H 2.725547 2.325595 -0.601732
H 2.557013 3.010959 1.056048


