%chk=000114507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114507

0 1
O 2.600654 -0.898334 -0.027174
C -1.476232 0.094815 0.033030
C -0.369171 1.101319 0.433914
C 0.958960 0.844600 -0.294007
C -0.940278 -1.326164 0.079680
C -2.649309 0.222670 1.021640
C -1.970152 0.366352 -1.399549
C 1.427263 -0.596589 -0.074036
C 2.033682 1.835572 0.147287
C 0.359726 -1.626275 0.027061
H -0.203923 1.050931 1.528402
H -0.708443 2.134305 0.232460
H 0.798337 0.955414 -1.399072
H -1.700521 -2.106771 0.146624
H -2.350487 -0.047031 2.040819
H -3.033018 1.248451 1.053497
H -3.487819 -0.424927 0.743767
H -1.159309 0.269236 -2.130431
H -2.760943 -0.331857 -1.694266
H -2.377740 1.378635 -1.493812
H 2.167136 1.836839 1.235589
H 3.010014 1.567115 -0.284812
H 1.795227 2.856946 -0.163941
H 0.727743 -2.653253 0.062027


%chk=000114507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114507

0 1
O 2.674404 -0.940510 0.007888
C -1.490642 0.098949 0.024784
C -0.365692 1.099005 0.421609
C 0.994051 0.839941 -0.276083
C -0.946053 -1.322793 0.062314
C -2.671220 0.221268 1.027202
C -2.022240 0.386814 -1.414434
C 1.449856 -0.614390 -0.048167
C 2.075032 1.855102 0.145046
C 0.382066 -1.641303 0.049937
H -0.210221 1.037513 1.518365
H -0.697579 2.133223 0.203276
H 0.845301 0.928215 -1.375758
H -1.694636 -2.129860 0.095053
H -2.349448 -0.028327 2.054839
H -3.063275 1.255506 1.032809
H -3.502458 -0.455331 0.752810
H -1.213260 0.346835 -2.164880
H -2.789870 -0.353109 -1.707758
H -2.484620 1.391029 -1.452341
H 2.201370 1.858689 1.243581
H 3.049201 1.592084 -0.299231
H 1.797788 2.876180 -0.174221
H 0.723541 -2.682733 0.098058


