%chk=000221307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221307

0 1
O -3.230801 -2.735200 -0.494418
O -5.312930 -1.605763 -0.371751
O 2.635675 -1.243800 2.311599
O 3.400561 0.583194 -2.218263
O 4.415473 -1.019765 -0.023625
N -0.718564 2.808363 0.392127
C -1.888748 0.689872 0.057685
C -3.140003 1.368169 0.127154
C -0.696885 1.483050 0.203821
C 0.649782 0.844291 0.148035
C -1.825315 -0.734218 -0.157197
C -3.012168 -1.380648 -0.283486
C -4.287375 -0.692647 -0.209574
C -4.383561 0.647178 -0.010311
C -3.142423 2.775927 0.334031
C 1.453002 1.028645 -0.984269
C 1.089825 0.079198 1.228442
C 2.354207 -0.543212 1.171176
C 2.709833 0.414019 -1.032425
C -4.680799 -2.916902 -0.555384
C 3.166872 -0.405307 0.024864
C -1.939912 3.445453 0.457410
C 3.945585 -1.854843 2.449029
C 4.773830 1.044891 -2.085127
C 4.455945 -2.131890 -0.966229
H -0.864305 -1.244191 -0.211684
H -5.333123 1.171104 0.045726
H -4.089134 3.308964 0.391726
H 1.127193 1.654530 -1.813754
H 0.483370 -0.040393 2.125440
H -4.978717 -3.553227 0.288780
H -4.935874 -3.273290 -1.562449
H -1.885140 4.528634 0.616043
H 4.736032 -1.125820 2.237183
H 4.019101 -2.714473 1.778194
H 3.939756 -2.156497 3.502770
H 5.338020 0.421865 -1.381551
H 4.759295 2.090683 -1.764080
H 5.148684 0.945673 -3.109237
H 4.210219 -1.778771 -1.974047
H 3.765353 -2.915663 -0.646421
H 5.498165 -2.457185 -0.896351


%chk=000221307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221307

0 1
O -3.573379 -2.808839 0.061669
O -5.579359 -1.507559 0.275058
O 2.435475 -2.006516 1.718978
O 3.879277 0.949808 -2.001705
O 4.497187 -1.211527 -0.183535
N -0.640403 2.667492 -0.322757
C -1.937507 0.589724 -0.071562
C -3.166064 1.371378 0.006584
C -0.685968 1.315304 -0.188770
C 0.649742 0.640211 -0.170215
C -2.013453 -0.851062 -0.073036
C -3.262316 -1.427722 0.049297
C -4.457560 -0.657309 0.169233
C -4.444572 0.723122 0.142963
C -3.067311 2.793809 -0.092981
C 1.652980 1.089184 -1.064784
C 0.969352 -0.371770 0.769413
C 2.249727 -0.971103 0.786162
C 2.930410 0.501442 -1.052163
C -5.045318 -2.896631 0.233913
C 3.234618 -0.567006 -0.158749
C -1.815891 3.381327 -0.285185
C 3.699653 -2.031987 2.484243
C 5.098956 1.558066 -1.420060
C 4.738133 -1.998550 -1.419345
H -1.118855 -1.463674 -0.190970
H -5.365121 1.308889 0.206696
H -3.968939 3.412808 -0.038625
H 1.447880 1.909929 -1.756049
H 0.252133 -0.693061 1.529749
H -5.267732 -3.393150 1.193925
H -5.479204 -3.419721 -0.634559
H -1.710999 4.465344 -0.402350
H 3.856394 -1.068804 3.005992
H 4.557969 -2.238806 1.824874
H 3.564426 -2.839924 3.219593
H 5.612599 0.847880 -0.747656
H 4.833907 2.479673 -0.868658
H 5.739245 1.807473 -2.279956
H 4.682193 -1.346884 -2.309126
H 3.996988 -2.815276 -1.497749
H 5.750709 -2.415986 -1.308194


