%chk=000228047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228047

0 1
O 1.767500 -1.534856 0.268989
O 4.180446 -1.274681 -0.801281
O 1.109290 1.515834 -1.526497
O 4.584589 0.178909 -3.195644
O -0.554916 1.833751 0.414833
O 5.619068 1.037643 -0.809258
N -0.556494 -0.338484 1.171847
C 2.130429 -0.278413 -0.333216
C 3.112912 -0.570465 -1.485808
C 0.793678 0.314923 -0.826319
C 3.677987 0.675582 -2.204089
C -1.548013 -0.104391 2.261538
C -0.169538 0.670962 0.328350
C -2.607372 -1.228759 2.235191
C 4.410976 1.652474 -1.271477
C -0.827774 -0.062341 3.612020
C -3.381717 -1.248492 0.945857
C -4.315346 -0.237271 0.669052
C -3.177958 -2.277603 0.014625
C -5.035125 -0.258118 -0.527830
C -3.903334 -2.294369 -1.180314
C -4.832153 -1.286332 -1.454552
H 2.602120 0.356217 0.450713
H 2.667823 -1.266095 -2.234551
H 0.294397 -0.360597 -1.561591
H 2.865246 1.184058 -2.784357
H -2.044469 0.889121 2.068903
H -2.131219 -2.211707 2.425309
H -3.304581 -1.084243 3.088028
H -0.131013 -1.268443 1.103965
H 3.788632 1.973938 -0.419230
H 4.772211 2.545393 -1.819169
H -1.529389 0.134629 4.430721
H -0.076593 0.739082 3.632839
H -0.307385 -0.998681 3.841505
H 2.584731 -2.080500 0.410659
H 4.784262 -1.668597 -1.475445
H 0.609976 2.296831 -1.122092
H 5.518588 0.251901 -2.862606
H -4.476653 0.567917 1.383021
H -2.455988 -3.064973 0.217917
H 5.395199 0.238254 -0.258011
H -5.755466 0.530680 -0.740366
H -3.742853 -3.095889 -1.899612
H -5.394412 -1.299997 -2.385671


%chk=000228047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228047

0 1
O 1.178145 -1.447315 -0.304208
O 3.573143 -1.631305 -1.398821
O 1.486208 2.172803 -1.051955
O 4.738460 0.159875 -3.119763
O -0.326808 2.363887 0.812602
O 5.727234 0.157490 -0.550663
N -0.655837 0.059671 1.058742
C 1.900755 -0.174679 -0.521592
C 2.832774 -0.374663 -1.731917
C 0.829363 0.909113 -0.755882
C 3.858158 0.735527 -2.072135
C -1.614216 0.160761 2.182717
C -0.106824 1.150532 0.464811
C -2.459180 -1.141493 2.258486
C 4.734625 1.200367 -0.891522
C -0.880117 0.446752 3.513278
C -3.275424 -1.420104 1.003901
C -4.447724 -0.670329 0.724279
C -2.872479 -2.413790 0.076145
C -5.194545 -0.904480 -0.451249
C -3.616363 -2.652566 -1.102176
C -4.780310 -1.897126 -1.370521
H 2.493305 0.068707 0.384091
H 2.215816 -0.564454 -2.634422
H 0.194395 0.589470 -1.609925
H 3.323352 1.597050 -2.498018
H -2.277405 1.017891 1.958158
H -1.779839 -1.991434 2.470329
H -3.125774 -1.042620 3.136191
H -0.324187 -0.860187 0.727178
H 4.116044 1.486663 -0.021686
H 5.338603 2.071200 -1.192717
H -1.607027 0.586027 4.334385
H -0.280655 1.368176 3.423466
H -0.208526 -0.389645 3.781656
H 1.836903 -2.172571 -0.482643
H 4.130677 -1.826239 -2.199940
H 0.987159 2.851470 -0.496407
H 5.627880 0.026998 -2.684874
H -4.779560 0.098926 1.433525
H -1.973572 -3.010440 0.278167
H 5.221488 -0.676784 -0.343334
H -6.098481 -0.317446 -0.649666
H -3.289427 -3.425429 -1.807026
H -5.359909 -2.080454 -2.282148


