%chk=000005643.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005643

0 1
P -4.077705 1.409607 0.489443
O -0.113319 -1.756923 -0.448602
O -2.813434 0.274485 0.974351
O -0.982976 1.642515 -1.298645
O -1.533082 -3.862396 1.145997
O -4.913355 0.406939 -0.656835
O -3.302273 2.557721 -0.448593
O 1.629962 1.951259 -1.336681
O -4.951303 1.910967 1.701982
O 5.643300 0.582053 0.635404
N 1.732609 -0.196748 -0.389591
N 3.614850 1.219036 -0.340470
C -1.937420 -0.277555 -0.059467
C -0.691021 0.589263 -0.336741
C -1.307316 -1.586209 0.455524
C 0.330585 -0.445523 -0.885500
C -2.189611 -2.814239 0.357469
C 2.293991 1.047473 -0.724913
C 2.467132 -1.184273 0.270601
C 3.772466 -0.986655 0.647090
C 4.455632 0.272109 0.353630
H -2.490820 -0.447353 -1.005734
H -0.331948 1.021013 0.619493
H -0.964598 -1.459540 1.501071
H 0.355076 -0.417404 -1.991130
H -2.302361 -3.108162 -0.706616
H -3.183410 -2.551491 0.776925
H -0.091272 2.070969 -1.513803
H 1.916595 -2.110460 0.451154
H -2.080901 -4.685950 1.128923
H 4.039793 2.124007 -0.571008
H 4.332436 -1.764138 1.166990
H -5.893768 0.377174 -0.520532
H -2.384234 2.330926 -0.888286


%chk=000005643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005643

0 1
P -4.051128 1.394393 0.528357
O -0.120942 -1.771418 -0.431469
O -2.832083 0.225711 1.013011
O -1.031733 1.628374 -1.257487
O -1.513903 -3.896871 1.167356
O -4.823545 0.380409 -0.654704
O -3.227826 2.572888 -0.344407
O 1.581109 1.952538 -1.342493
O -4.954901 1.897496 1.715303
O 5.629761 0.615639 0.577665
N 1.710791 -0.192574 -0.392105
N 3.583815 1.236140 -0.371973
C -1.954875 -0.312476 -0.024952
C -0.721585 0.569084 -0.304597
C -1.310489 -1.616368 0.482490
C 0.304169 -0.453619 -0.869527
C -2.184266 -2.850665 0.387571
C 2.259226 1.054416 -0.737647
C 2.461218 -1.173509 0.260239
C 3.770127 -0.965922 0.618523
C 4.440677 0.296582 0.312721
H -2.512293 -0.481199 -0.968122
H -0.357469 0.998614 0.650766
H -0.960558 -1.490780 1.525708
H 0.314244 -0.421715 -1.975374
H -2.303203 -3.142926 -0.676297
H -3.176597 -2.595501 0.814713
H -0.141676 2.055892 -1.486121
H 1.919674 -2.103137 0.450019
H -2.071102 -4.714202 1.177157
H 3.999190 2.143642 -0.609894
H 4.342365 -1.738299 1.132643
H -5.684903 0.724910 -1.000273
H -2.332989 2.306950 -0.813897


