%chk=000102878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000102878

0 1
P -0.269668 -0.103382 -0.061393
O -0.545782 1.482329 0.326287
O -1.562963 -0.803326 0.670190
O -0.097775 -0.326099 -1.523743
C -0.234800 2.470561 -0.708909
C -2.868844 -0.628484 0.018612
C 1.061188 3.169031 -0.271609
C -3.152226 -1.917216 -0.766640
C 1.090267 -0.653505 1.029126
C -1.443744 3.399813 -0.687547
C -3.807292 -0.423295 1.202205
C 2.313602 2.405924 -0.688438
C -2.819631 -1.783149 -2.246969
C 2.152359 -1.349574 0.452895
C 1.050869 -0.377957 2.394333
C 3.207171 -1.776902 1.268328
C 2.109013 -0.808323 3.205520
C 3.182318 -1.505452 2.641011
H -0.125472 1.980487 -1.708248
H -2.862112 0.269799 -0.638784
H 1.087603 4.192181 -0.694717
H 1.045605 3.297068 0.830900
H -2.561933 -2.745014 -0.317571
H -4.212072 -2.212338 -0.644124
H -1.620704 3.792949 0.322342
H -1.316992 4.247097 -1.368538
H -2.355413 2.864716 -0.979885
H -3.752662 -1.269676 1.899916
H -3.521304 0.469428 1.774381
H -4.846870 -0.307295 0.882113
H 2.249192 2.039313 -1.720988
H 2.497408 1.536969 -0.043993
H 3.203325 3.042685 -0.623189
H -1.764417 -1.492206 -2.406436
H -3.436934 -1.026974 -2.741696
H -2.968258 -2.731050 -2.774588
H 2.178219 -1.568004 -0.620189
H 0.214700 0.164482 2.843957
H 4.043690 -2.321621 0.835554
H 2.094422 -0.602212 4.273602
H 4.003816 -1.840377 3.274023


%chk=000102878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102878

0 1
P -0.122585 -0.119762 -0.272582
O -0.393433 1.529644 0.246303
O -1.499226 -0.916694 0.392969
O 0.124381 -0.234829 -1.847790
C -0.193580 2.653024 -0.733442
C -2.874483 -0.576183 -0.114755
C 0.882859 3.589214 -0.155030
C -3.550851 -1.905919 -0.491069
C 1.208932 -0.815829 0.793601
C -1.553544 3.335161 -0.928811
C -3.595955 0.198875 0.993870
C 2.269226 2.927111 -0.023777
C -2.895210 -2.612527 -1.694278
C 2.411605 -1.212341 0.164746
C 1.039897 -0.938055 2.191835
C 3.462907 -1.733748 0.951182
C 2.096523 -1.460296 2.969760
C 3.306935 -1.855391 2.351582
H 0.154932 2.209524 -1.688661
H -2.765210 0.053471 -1.023278
H 0.948457 4.475062 -0.819175
H 0.538826 3.952629 0.832952
H -3.529507 -2.564357 0.399138
H -4.617449 -1.692576 -0.707683
H -1.932934 3.724287 0.032985
H -1.460448 4.180506 -1.635797
H -2.293855 2.624860 -1.336993
H -3.686531 -0.425870 1.900425
H -3.034203 1.112845 1.249931
H -4.612700 0.484825 0.664916
H 2.626788 2.552724 -1.001772
H 2.231340 2.072909 0.674823
H 3.017288 3.645145 0.358366
H -1.831793 -2.825532 -1.491230
H -2.940773 -1.984264 -2.603123
H -3.402926 -3.569162 -1.914421
H 2.510553 -1.119705 -0.922549
H 0.096018 -0.640511 2.658697
H 4.397366 -2.045196 0.472418
H 1.975325 -1.561385 4.053581
H 4.123938 -2.260284 2.959237


