%chk=000227810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227810

0 1
O 0.440257 -0.534278 1.807409
O -0.582622 2.116146 1.632650
O -2.770003 2.578447 -0.133217
O -2.119440 -3.140819 -1.587487
O -3.785574 -1.865079 -2.349759
C -0.557797 -0.260057 0.889455
C -1.040149 1.070725 0.863369
C 1.465217 -1.497891 1.419398
C -2.140962 1.369732 0.016923
C -1.120746 -1.250602 0.076470
C -2.190504 -0.923067 -0.761721
C 2.431654 -0.863191 0.458991
C -2.710866 0.373462 -0.794503
C 2.199721 -0.926933 -0.922508
C 3.564876 -0.194705 0.945250
C 3.098425 -0.328403 -1.810047
C 4.462061 0.399927 0.053934
C -2.812049 -1.944368 -1.636869
C 4.230214 0.333859 -1.323889
C 0.771263 2.018870 2.153348
C -2.285219 3.714547 0.628703
H 0.994747 -2.414480 1.020922
H 1.911776 -1.719162 2.409305
H -0.743088 -2.274752 0.106811
H -3.554157 0.628878 -1.443247
H 1.316103 -1.436725 -1.307910
H 3.748394 -0.138393 2.017003
H 2.914708 -0.377995 -2.882772
H 5.343351 0.914990 0.433156
H 4.930065 0.797664 -2.017312
H 1.477418 1.768210 1.356244
H 0.798127 1.266041 2.951265
H 0.930295 3.030384 2.541053
H -1.258758 3.952452 0.333671
H -2.348872 3.503549 1.702272
H -2.989795 4.498068 0.326300
H -2.534770 -3.834248 -2.167361


%chk=000227810-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227810

0 1
O 0.778140 0.096179 1.684126
O -0.781563 2.394442 2.074843
O -3.007151 2.895225 0.401013
O -1.324101 -2.294491 -2.293345
O -3.151190 -1.015413 -2.937129
C -0.296949 0.308091 0.800640
C -1.067653 1.488860 1.045141
C 1.545625 -1.164524 1.570278
C -2.227668 1.736756 0.251103
C -0.642405 -0.563821 -0.250272
C -1.781220 -0.284872 -1.047650
C 2.531805 -1.182339 0.411525
C -2.577490 0.854327 -0.790086
C 2.726364 -2.367315 -0.338963
C 3.303386 -0.034099 0.102829
C 3.686407 -2.410621 -1.375751
C 4.254744 -0.072334 -0.939359
C -2.176230 -1.178203 -2.162852
C 4.452586 -1.262387 -1.679077
C 0.580159 2.972394 2.127479
C -3.615323 3.131072 1.729628
H 0.850382 -2.025316 1.520385
H 2.076642 -1.203374 2.537813
H -0.045131 -1.446805 -0.480239
H -3.455563 1.066599 -1.405668
H 2.126041 -3.258915 -0.117118
H 3.146007 0.888256 0.673481
H 3.827866 -3.332799 -1.950097
H 4.842019 0.822274 -1.174900
H 5.192146 -1.291749 -2.486879
H 0.822949 3.460156 1.165041
H 1.323106 2.194216 2.364427
H 0.534261 3.724932 2.929089
H -2.839697 3.210827 2.508641
H -4.322260 2.314455 1.973387
H -4.163158 4.079846 1.626025
H -1.642582 -2.838728 -3.062212


