%chk=000282323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282323

0 1
P -2.113234 0.590693 0.725265
O 0.840166 -1.993807 1.740503
O -1.815502 0.986474 2.153455
O 3.244268 -0.991624 2.564428
C 1.522092 -1.086582 0.855822
C 0.589108 0.085117 0.475908
C -0.743721 -0.432957 -0.053270
C 1.925841 -1.981040 -0.307096
C -2.336826 2.051388 -0.392573
C -3.655940 -0.409953 0.530727
C 2.827902 -0.552417 1.522769
C 2.083264 -1.465425 -1.601354
C 2.160096 -3.344198 -0.069480
C 3.534953 0.548478 0.786085
C -2.219986 3.305943 0.202941
C -3.948415 -1.110840 -0.638146
C -2.606199 1.917940 -1.753213
C -4.516579 -0.438073 1.626617
C 0.418050 -1.475013 3.023643
C 2.469290 -2.308052 -2.647407
C 2.541904 -4.183475 -1.118943
C -2.372269 4.455505 -0.584256
C -5.135084 -1.848614 -0.714024
C -2.757689 3.068045 -2.536250
C -5.704430 -1.177901 1.546460
C 3.331016 1.878899 1.174554
C 4.418372 0.241354 -0.254917
C 2.697948 -3.667018 -2.409118
C -2.640040 4.334403 -1.950541
C -6.011619 -1.879379 0.377591
C 4.003239 2.905264 0.505338
C 5.089902 1.272741 -0.919000
C 4.881054 2.602956 -0.541589
H 1.082290 0.736764 -0.274421
H 0.463306 0.723451 1.385219
H -0.878453 -1.501407 0.245737
H -0.781293 -0.420392 -1.153559
H 1.910659 -0.407333 -1.796444
H 2.032392 -3.740606 0.943002
H -2.013005 3.410134 1.275561
H -3.276493 -1.106867 -1.496915
H -2.707926 0.941464 -2.227760
H -4.280029 0.100641 2.552430
H -0.168282 -0.552365 2.925095
H -0.212189 -2.290605 3.395939
H 1.294417 -1.332674 3.665300
H 2.591979 -1.903873 -3.650399
H 2.719171 -5.240931 -0.929043
H -2.283893 5.440575 -0.129811
H -5.376730 -2.401083 -1.619702
H -2.969522 2.979562 -3.599718
H -6.384438 -1.206612 2.396031
H 2.658200 2.113128 1.999771
H 4.585558 -0.797295 -0.544418
H 2.997430 -4.321070 -3.225754
H -2.759523 5.227735 -2.562822
H -6.934848 -2.454834 0.315026
H 3.847207 3.940733 0.804224
H 5.779758 1.036920 -1.727789
H 5.405927 3.404508 -1.059308


%chk=000282323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282323

0 1
P -2.240358 0.527099 0.656515
O 0.952814 -2.069691 1.801081
O -2.006019 1.053486 2.175636
O 3.358447 -1.020602 2.477101
C 1.546828 -1.138873 0.821344
C 0.516824 -0.026380 0.462236
C -0.859189 -0.618993 0.078715
C 1.951298 -2.059546 -0.346810
C -2.275899 1.975589 -0.536738
C -3.842799 -0.420524 0.471375
C 2.868177 -0.515130 1.429281
C 1.658668 -1.775531 -1.703454
C 2.657359 -3.250125 -0.033401
C 3.527272 0.693472 0.816660
C -2.053765 3.254660 0.023620
C -4.114938 -1.263112 -0.632197
C -2.499986 1.829293 -1.925524
C -4.790162 -0.272351 1.511241
C 0.490977 -1.496151 3.085794
C 2.058470 -2.663431 -2.727329
C 3.058986 -4.135799 -1.055338
C -2.052551 4.393891 -0.812952
C -5.348218 -1.950179 -0.700317
C -2.496520 2.971234 -2.758637
C -6.022075 -0.960092 1.437660
C 4.243367 1.549900 1.699312
C 3.515408 0.994059 -0.572175
C 2.761775 -3.846630 -2.408072
C -2.272034 4.253172 -2.203066
C -6.303428 -1.795614 0.331410
C 4.908347 2.691714 1.211299
C 4.199847 2.127044 -1.061831
C 4.888342 2.984782 -0.173403
H 0.900740 0.628607 -0.336935
H 0.393183 0.620298 1.353523
H -1.010278 -1.582588 0.598233
H -0.962444 -0.792092 -1.005892
H 1.112143 -0.865553 -1.976174
H 2.869062 -3.473587 1.016521
H -1.889566 3.332177 1.105084
H -3.374339 -1.407170 -1.428234
H -2.689564 0.842524 -2.365240
H -4.541711 0.365750 2.367295
H -0.295861 -0.728133 2.947621
H 0.068125 -2.358565 3.625140
H 1.337545 -1.083116 3.660497
H 1.819887 -2.431352 -3.771608
H 3.603263 -5.051093 -0.797243
H -1.881424 5.386565 -0.382181
H -5.560218 -2.607057 -1.551011
H -2.672943 2.862666 -3.834538
H -6.757763 -0.847978 2.241546
H 4.266050 1.296996 2.764314
H 3.023491 0.320227 -1.278029
H 3.073915 -4.534394 -3.201991
H -2.271673 5.137257 -2.850640
H -7.258623 -2.329743 0.276623
H 5.444336 3.349589 1.904040
H 4.200841 2.337242 -2.136984
H 5.411166 3.868380 -0.556371


