%chk=000219788.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219788

0 1
O 0.574827 -0.068278 1.681424
O -0.637346 0.006899 -1.679065
C 0.719618 -0.039788 0.242143
C -0.782177 -0.021796 -0.239735
C 1.465389 1.239480 -0.181413
C 1.451591 -1.308785 -0.233310
C -1.514165 1.247153 0.235848
C -1.528030 -1.301119 0.183620
C 2.954845 1.211629 0.174515
C 2.941177 -1.311572 0.123182
C -3.003727 1.250043 -0.120800
C -3.017461 -1.273184 -0.172536
C 3.642082 -0.043033 -0.377034
C -3.704737 -0.018573 0.379131
H 0.990886 2.121962 0.288186
H 1.335396 1.361612 -1.278530
H 1.320579 -1.384693 -1.334490
H 0.967447 -2.204475 0.200014
H -1.029971 2.142890 -0.197336
H -1.383296 1.322855 1.337053
H -1.398296 -1.423305 1.280755
H -1.053498 -2.183557 -0.286024
H 3.082742 1.262239 1.272768
H 3.446735 2.118188 -0.227512
H 3.423319 -2.206319 -0.315441
H 3.068238 -1.408161 1.218442
H -3.130665 1.346830 -1.216057
H -3.485878 2.144741 0.317943
H -3.509415 -2.179811 0.229283
H -3.145207 -1.323619 -1.270807
H 3.628290 -0.020430 -1.484416
H 4.707701 -0.054760 -0.083620
H -3.691070 -0.041355 1.486513
H -4.770325 -0.006754 0.085580
H 1.453216 -0.082071 2.106962
H -1.515715 0.020218 -2.104636


%chk=000219788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219788

0 1
O 0.605432 -0.069603 1.731020
O -0.668042 0.007334 -1.728784
C 0.718469 -0.039940 0.244102
C -0.781077 -0.021911 -0.241858
C 1.481375 1.238601 -0.200689
C 1.467442 -1.307509 -0.252679
C -1.529857 1.245900 0.254584
C -1.544170 -1.300222 0.203284
C 2.983962 1.215312 0.174587
C 2.970411 -1.315560 0.121640
C -3.032819 1.254079 -0.119755
C -3.046768 -1.276806 -0.171950
C 3.690506 -0.042994 -0.375926
C -3.753108 -0.018224 0.378198
H 1.007487 2.123383 0.261120
H 1.372203 1.334023 -1.296995
H 1.356528 -1.356890 -1.351872
H 0.984230 -2.205054 0.173345
H -1.046486 2.143251 -0.171674
H -1.418940 1.295561 1.353762
H -1.434984 -1.395372 1.299614
H -1.070448 -2.185205 -0.258307
H 3.103196 1.247967 1.279919
H 3.468465 2.133717 -0.208691
H 3.444896 -2.222093 -0.300562
H 3.089929 -1.396337 1.224509
H -3.152308 1.334541 -1.222648
H -3.507167 2.160809 0.302178
H -3.531402 -2.195024 0.211610
H -3.166047 -1.309774 -1.277270
H 3.666854 -0.019471 -1.484607
H 4.755569 -0.055198 -0.073391
H -3.729447 -0.041423 1.486885
H -4.818173 -0.005943 0.075672
H 1.521379 -0.080327 2.106367
H -1.583991 0.017703 -2.104139


