%chk=000006831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006831

0 1
P 4.763659 0.113004 -0.750548
P 2.672367 -2.063733 0.316835
O 0.520947 0.786252 -0.476938
O -1.437274 3.476897 -0.430791
O 0.670655 4.073615 1.078113
O 3.408835 1.167575 -0.841544
O 4.206180 -1.268103 0.139912
O 5.655934 0.908785 0.482800
O 5.474668 -0.169515 -2.123712
O -5.107353 -3.108933 0.910231
O 3.094734 -3.677697 0.022516
O 1.829477 -1.674987 -1.088580
O 2.011337 -1.712418 1.721229
N -1.653022 -0.054453 0.049800
N -2.273569 -1.862917 1.307642
N -3.784442 0.186668 -1.267227
N -5.478214 -1.459876 -0.740725
C -1.045911 2.389774 0.454874
C 0.397186 2.637810 0.995815
C -0.924025 1.110863 -0.427523
C 1.287535 2.008922 -0.097408
C 2.682733 1.629932 0.370938
C -2.947820 -0.401610 -0.333775
C -1.295358 -0.983490 1.073330
C -3.328946 -1.513523 0.440253
C -4.659014 -2.124220 0.274567
C -5.050713 -0.418779 -1.411984
H -1.786673 2.255566 1.264881
H 0.545892 2.125630 1.965394
H -1.275522 1.371705 -1.444838
H 1.349881 2.684801 -0.971459
H 2.653601 0.841450 1.148767
H 3.188591 2.528710 0.766342
H -0.947231 4.293540 -0.130523
H 0.649207 4.385298 2.015902
H -0.303620 -0.996393 1.525333
H -3.539549 1.021760 -1.803741
H -5.697578 0.056314 -2.160132
H 6.561701 0.549837 0.661543
H 3.022485 -4.271099 0.813467
H 1.263832 -0.831157 -1.001034


%chk=000006831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006831

0 1
P 4.875272 0.114597 -0.423278
P 2.595353 -2.007176 0.104450
O 0.574076 0.748827 -0.546858
O -1.345593 3.396270 -0.802903
O 0.627344 4.105275 0.854349
O 3.479208 1.090050 -0.647285
O 4.238311 -1.485029 -0.240784
O 5.280073 0.591180 1.179382
O 5.976928 0.218401 -1.540534
O -5.029461 -3.003800 1.330523
O 2.800134 -3.669565 -0.086446
O 1.715395 -1.523475 -1.253934
O 2.055147 -1.543562 1.519691
N -1.579329 -0.093266 0.053635
N -2.140362 -1.821853 1.444194
N -3.798243 0.142557 -1.107585
N -5.483694 -1.430991 -0.372726
C -1.047164 2.388636 0.204452
C 0.349117 2.668005 0.839858
C -0.875251 1.035880 -0.545234
C 1.321417 1.978706 -0.140585
C 2.653030 1.597618 0.480536
C -2.907113 -0.422763 -0.210016
C -1.161356 -0.983937 1.090392
C -3.252288 -1.485548 0.645911
C -4.605735 -2.066090 0.612861
C -5.085050 -0.436506 -1.127117
H -1.853675 2.334462 0.959562
H 0.417691 2.217999 1.848510
H -1.219985 1.175173 -1.588286
H 1.476604 2.615314 -1.031415
H 2.534803 0.825610 1.264353
H 3.133122 2.499425 0.900281
H -0.874579 4.234196 -0.533131
H 0.504644 4.480266 1.760906
H -0.137668 -1.003809 1.465026
H -3.574328 0.939812 -1.707349
H -5.775436 0.016761 -1.849616
H 6.078308 0.161669 1.578488
H 3.190605 -3.967585 -0.947609
H 1.245330 -0.619928 -1.136669


