%chk=000277240.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277240

0 1
P 0.898282 -0.258675 -0.567886
O 1.923536 -1.211674 0.331683
O 1.425735 1.188915 0.052386
O -1.920228 2.083598 2.558134
O -3.525798 -2.736458 -1.723193
O 0.928671 -0.432811 -2.029230
O -3.396467 1.457507 0.960338
O -4.651288 -3.133674 0.198503
N -0.607283 -0.524137 0.218765
C -2.070331 -0.227628 2.197014
C -2.894917 -1.415371 0.121286
C -2.995842 -1.325119 1.652903
C -0.617062 -0.426169 1.704725
C -1.434596 -1.634994 -0.332624
C -2.570601 1.148478 1.783613
C -3.796330 -2.518520 -0.393805
C -2.226555 3.497381 2.336052
C -4.300836 -3.756375 -2.431506
C 3.271973 -1.248454 -0.025353
C 0.932714 2.372073 -0.493935
C -3.570646 3.839682 2.943047
C -3.778615 -5.134018 -2.082487
C 3.697880 -1.557080 -1.322522
C 0.774335 2.588545 -1.867604
C 4.163593 -1.052951 1.039119
C 0.695378 3.372339 0.461631
C 5.073025 -1.667880 -1.548086
C 0.354046 3.854816 -2.284298
C 5.530209 -1.176499 0.784464
C 0.288656 4.629664 0.013873
C 5.985595 -1.481425 -0.504212
C 0.112994 4.871584 -1.353867
H -2.068467 -0.268219 3.318396
H -3.261829 -0.437578 -0.317688
H -4.049294 -1.127580 1.944936
H -2.735779 -2.297975 2.115828
H 0.003795 0.448518 2.025778
H -0.194586 -1.333445 2.196981
H -1.084220 -2.638624 0.000627
H -1.396037 -1.620242 -1.453379
H -1.377276 3.976523 2.855807
H -2.185125 3.693673 1.248699
H -4.107953 -3.467373 -3.481232
H -5.367308 -3.626889 -2.175097
H -3.638578 3.514301 3.988538
H -4.389133 3.347047 2.395013
H -3.761154 4.918800 2.914597
H -3.992209 -5.385817 -1.032793
H -2.691936 -5.201382 -2.220073
H -4.242212 -5.907642 -2.706221
H 2.988468 -1.701821 -2.141403
H 0.970474 1.803474 -2.605468
H 3.783301 -0.813447 2.028877
H 0.840701 3.155323 1.517299
H 5.432797 -1.903681 -2.549971
H 0.217485 4.047899 -3.349005
H 6.245050 -1.031163 1.593972
H 0.109484 5.427335 0.733784
H 7.053012 -1.572010 -0.694175
H -0.209892 5.853024 -1.694457


%chk=000277240-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277240

0 1
P 0.822383 -0.474725 -0.438383
O 2.061414 -1.307100 0.460199
O 1.218753 1.118582 0.155385
O -1.715523 2.016027 2.387024
O -3.741713 -2.754341 -1.874606
O 0.781020 -0.686035 -2.012354
O -3.375727 1.458060 0.849124
O -4.725859 -3.315808 0.165178
N -0.609683 -0.926336 0.386669
C -2.230193 -0.316898 2.165918
C -2.980739 -1.553613 0.057349
C -3.227473 -1.334916 1.566937
C -0.763269 -0.719528 1.843741
C -1.501803 -1.943548 -0.218680
C -2.526307 1.113690 1.704453
C -3.911793 -2.628460 -0.494680
C -1.881622 3.467540 2.047190
C -4.574526 -3.788439 -2.566787
C 3.456099 -1.160977 0.196166
C 0.748395 2.330414 -0.420802
C -3.020635 4.084846 2.861904
C -3.897268 -5.160066 -2.503900
C 3.965899 -0.948459 -1.104623
C -0.270879 2.396048 -1.397039
C 4.308083 -1.301735 1.311616
C 1.373144 3.497887 0.070320
C 5.366252 -0.864346 -1.275437
C -0.671010 3.664660 -1.875527
C 5.705256 -1.227558 1.119506
C 0.960601 4.756158 -0.418685
C 6.239138 -1.004252 -0.171672
C -0.064417 4.846218 -1.391014
H -2.319784 -0.314371 3.270043
H -3.187791 -0.613710 -0.486619
H -4.264463 -0.994411 1.725970
H -3.122336 -2.300207 2.098194
H -0.067559 0.065136 2.180334
H -0.524746 -1.659101 2.385376
H -1.290123 -2.941434 0.224621
H -1.315417 -1.993124 -1.303560
H -0.902202 3.902870 2.298445
H -2.062041 3.552020 0.961938
H -4.649335 -3.408879 -3.598111
H -5.571427 -3.808838 -2.092470
H -2.855907 3.943614 3.944286
H -3.990132 3.638330 2.584177
H -3.072029 5.171007 2.660066
H -3.844991 -5.524256 -1.464139
H -2.876621 -5.114638 -2.921517
H -4.479844 -5.890662 -3.095326
H 3.285564 -0.859479 -1.958545
H -0.731668 1.486541 -1.794359
H 3.871358 -1.465983 2.301210
H 2.169152 3.401130 0.814538
H 5.772516 -0.696380 -2.278914
H -1.459714 3.722100 -2.633391
H 6.373880 -1.338965 1.980237
H 1.446532 5.663815 -0.043824
H 7.323039 -0.942751 -0.315760
H -0.379100 5.823334 -1.772295


