%chk=000280089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280089

0 1
P 0.168549 0.122925 -0.244298
O -2.204268 -0.408868 -0.606557
O 1.611863 0.133029 -3.034815
O -2.705587 -0.035639 -2.789905
C -0.843799 1.206030 0.861389
C 1.880351 0.796816 -0.095132
C 0.291328 -1.557163 0.507829
C -0.444926 0.124912 -1.904001
C -1.294103 2.423714 0.344647
C 2.131871 1.925165 0.689963
C -0.439095 -2.612994 -0.032882
C -1.140597 0.818297 2.167270
C 2.915318 0.149045 -0.771971
C 1.139089 -1.749955 1.603046
C 0.388666 0.238470 -3.065000
C -1.841210 -0.074332 -1.942735
C -2.043114 3.276331 1.163228
C 3.439593 2.405142 0.805751
C -0.326460 -3.888509 0.539452
C -1.891190 1.677838 2.979688
C 4.224840 0.637140 -0.652915
C 1.245115 -3.022899 2.170098
C -2.338838 2.904203 2.479193
C 4.485432 1.761203 0.132318
C 0.511907 -4.091401 1.637288
C -0.296273 0.496431 -4.380738
C -3.605724 -0.587264 -0.280626
C -4.045583 -1.991145 -0.652740
H -1.086457 2.723843 -0.687423
H 1.336394 2.454147 1.220207
H -1.106939 -2.468721 -0.891051
H -0.815971 -0.141895 2.574837
H 2.732547 -0.717870 -1.422491
H 1.732992 -0.934919 2.024773
H -2.401051 4.227900 0.772134
H 3.644602 3.284171 1.412981
H -0.891929 -4.720096 0.121800
H -2.129331 1.387277 4.001578
H 5.032871 0.143579 -1.191034
H 1.902421 -3.186885 3.022092
H -2.923197 3.570249 3.113705
H 5.502519 2.142852 0.218602
H 0.600214 -5.083418 2.080233
H -0.726372 1.505818 -4.406825
H 0.404647 0.402440 -5.218203
H -1.139308 -0.191002 -4.551139
H -3.610219 -0.404057 0.808498
H -4.189289 0.186395 -0.812021
H -5.089400 -2.171575 -0.374471
H -3.962455 -2.145591 -1.739699
H -3.427346 -2.752468 -0.164533


%chk=000280089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280089

0 1
P 0.283583 0.064086 -0.193009
O -2.619528 -0.241354 -0.711451
O 1.571102 -0.612243 -2.665644
O -2.663695 0.353543 -2.981695
C -0.757179 1.035719 1.025468
C 1.956780 0.929232 -0.113121
C 0.530884 -1.646181 0.525376
C -0.538392 0.055799 -1.822813
C -1.374588 2.237581 0.599877
C 2.033001 2.266875 0.344147
C -0.306558 -2.686667 0.060242
C -0.888125 0.607583 2.364511
C 3.138077 0.238616 -0.481346
C 1.506044 -1.899282 1.520005
C 0.361293 -0.241862 -2.920107
C -1.981245 0.105774 -1.945444
C -2.122604 3.006710 1.516633
C 3.287639 2.914170 0.427269
C -0.163769 -3.987151 0.591933
C -1.638551 1.381984 3.280025
C 4.387543 0.885246 -0.376810
C 1.643425 -3.203113 2.047526
C -2.254767 2.582041 2.860414
C 4.467315 2.224975 0.070829
C 0.809381 -4.247373 1.584948
C -0.115200 -0.143959 -4.362534
C -4.097804 -0.098008 -0.669300
C -4.781017 -1.420470 -1.033285
H -1.290053 2.557424 -0.444961
H 1.132686 2.807939 0.648668
H -1.056054 -2.474906 -0.709759
H -0.430086 -0.330275 2.695148
H 3.071829 -0.777013 -0.875866
H 2.165416 -1.096980 1.869404
H -2.603587 3.931726 1.180750
H 3.336525 3.951611 0.775419
H -0.807599 -4.795379 0.228679
H -1.743063 1.042821 4.316407
H 5.295911 0.346357 -0.666552
H 2.402399 -3.401969 2.811940
H -2.837024 3.179141 3.570981
H 5.439278 2.726449 0.138520
H 0.921239 -5.258754 1.991381
H -0.419221 0.889553 -4.604604
H 0.706685 -0.464010 -5.022680
H -1.011208 -0.766170 -4.532898
H -4.311313 0.205238 0.370134
H -4.397292 0.702731 -1.369077
H -5.877862 -1.325200 -0.922217
H -4.560880 -1.690448 -2.079913
H -4.436676 -2.235458 -0.372154


