%chk=000220118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220118

0 1
O 2.117293 -0.869567 -0.033995
O 1.636761 1.788160 -0.014855
O -0.185700 -2.671519 -0.199162
O -3.073187 1.098642 0.004134
C 0.813300 -0.399572 -0.107068
C 0.522099 0.991806 -0.027904
C -0.261078 -1.309764 -0.144940
C -1.833169 0.511732 -0.035656
C -0.789948 1.460683 0.002837
C -1.599224 -0.859771 -0.107548
C 2.937238 -0.497451 -1.177171
C 1.440970 3.223087 0.086419
C 1.123512 -3.302166 -0.189863
C -4.236463 0.233295 -0.022750
H -1.039838 2.512773 0.061144
H -2.393465 -1.596281 -0.131360
H 3.069388 0.590959 -1.191621
H 2.487478 -0.854543 -2.104832
H 3.880341 -1.006400 -0.957298
H 0.926392 3.469402 1.020147
H 0.898756 3.593791 -0.787992
H 2.476177 3.586682 0.099220
H 1.707188 -2.955126 0.671827
H 1.644226 -3.079022 -1.124533
H 0.859056 -4.361883 -0.107717
H -4.240346 -0.421896 0.853451
H -4.262810 -0.335594 -0.956754
H -5.057445 0.960044 0.022337


%chk=000220118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220118

0 1
O 2.208693 -0.868426 -0.462706
O 1.735901 1.839298 -0.043469
O -0.036028 -2.667275 -0.626263
O -3.061778 1.093530 0.120339
C 0.889157 -0.383079 -0.329076
C 0.609908 1.001182 -0.100520
C -0.197701 -1.292898 -0.367163
C -1.782116 0.529957 -0.028193
C -0.715162 1.459458 0.038574
C -1.534136 -0.844631 -0.215633
C 2.937852 -0.389386 -1.657619
C 1.503398 3.259059 0.234122
C 0.896170 -3.410426 0.250737
C -4.204797 0.181259 0.056346
H -0.957024 2.512110 0.200929
H -2.327198 -1.594276 -0.258463
H 3.082678 0.703309 -1.606789
H 2.390053 -0.663379 -2.579480
H 3.910527 -0.904825 -1.629684
H 1.000659 3.396925 1.210535
H 0.899498 3.732926 -0.563988
H 2.505070 3.712634 0.263099
H 0.528159 -3.394073 1.295228
H 1.909396 -2.980322 0.199755
H 0.886033 -4.442209 -0.133102
H -4.164509 -0.571671 0.867630
H -4.254073 -0.334040 -0.922644
H -5.091128 0.819769 0.185997


