%chk=000183229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183229

0 1
O 5.996573 -0.513605 -0.000383
C -1.604817 1.195328 0.000059
C -2.387923 0.015116 0.000034
C -2.536045 2.383603 0.000122
C -3.981589 1.784647 0.000391
C -3.799711 0.287308 0.000139
C -0.221735 1.092488 -0.000007
C -1.845755 -1.280623 -0.000153
C 0.368010 -0.230199 -0.000092
C -0.432752 -1.374001 -0.000217
C 1.831220 -0.330598 -0.000062
C -4.676968 -0.758058 -0.000007
C 0.635939 2.263418 -0.000124
C -2.797064 -2.360167 -0.000272
C 2.624086 0.846943 -0.000326
C -4.144209 -2.094547 -0.000216
C 1.982218 2.152748 -0.000352
C 2.481950 -1.587006 0.000272
C 4.029950 0.758372 -0.000456
C 3.863597 -1.691648 0.000229
C 4.622326 -0.501642 -0.000198
H -2.372011 3.020694 0.886941
H -2.372286 3.020469 -0.886928
H -4.549537 2.119248 -0.885222
H -4.549007 2.118915 0.886498
H 0.023373 -2.363176 -0.000354
H -5.752567 -0.619384 0.000032
H 0.147742 3.238744 -0.000004
H -2.425243 -3.381391 -0.000436
H -4.861620 -2.916205 -0.000331
H 2.628105 3.030081 -0.000502
H 1.877289 -2.498904 0.000617
H 4.652061 1.650270 -0.000726
H 4.350165 -2.660747 0.000547
H 6.361535 -1.431991 -0.000013


%chk=000183229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183229

0 1
O 6.109423 -0.494819 -0.000242
C -1.637527 1.190871 0.000022
C -2.429421 0.023160 0.000030
C -2.553273 2.413933 0.000006
C -4.017192 1.822356 0.000207
C -3.829887 0.304943 0.000081
C -0.229339 1.081343 -0.000026
C -1.880024 -1.299689 -0.000041
C 0.371079 -0.256872 -0.000057
C -0.460662 -1.405822 -0.000082
C 1.841506 -0.356662 -0.000078
C -4.727739 -0.760303 0.000041
C 0.623859 2.252152 -0.000078
C -2.831254 -2.380438 -0.000075
C 2.643734 0.843632 -0.000151
C -4.204782 -2.105967 -0.000040
C 1.997330 2.142819 -0.000155
C 2.531405 -1.604482 -0.000022
C 4.064271 0.761428 -0.000201
C 3.931254 -1.680899 -0.000069
C 4.703330 -0.485211 -0.000171
H -2.378790 3.052472 0.887035
H -2.378969 3.052243 -0.887227
H -4.585595 2.159054 -0.886847
H -4.585240 2.158889 0.887555
H -0.018255 -2.407254 -0.000157
H -5.812323 -0.603261 0.000072
H 0.148673 3.239670 -0.000061
H -2.477223 -3.418114 -0.000132
H -4.916259 -2.940276 -0.000072
H 2.631020 3.037332 -0.000213
H 1.968333 -2.541822 0.000080
H 4.671552 1.672160 -0.000259
H 4.428216 -2.660155 -0.000017
H 6.454067 -1.421910 -0.000155


