%chk=000182350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182350

0 1
P -0.758730 1.231417 0.852705
O -2.102039 1.370425 -0.098604
O 0.158521 2.473732 0.262503
O -1.020136 1.280676 2.316309
N -0.601752 -1.287942 0.891948
C 0.222336 -0.254787 0.236653
C 0.282443 -0.259012 -1.274373
C 1.675524 -0.102099 0.647573
C 1.636498 -0.098525 -1.705194
C 2.498045 -0.001607 -0.517538
C -0.469635 -2.675577 0.329673
C -0.745417 -0.363160 -2.197400
C 2.233126 -0.048277 1.913674
C -1.382794 -3.618012 1.149812
C 1.945754 -0.054312 -3.056628
C 3.870959 0.154847 -0.400626
C 0.970370 -3.208721 0.348556
C -0.422381 -0.321846 -3.566356
C 3.628361 0.106838 2.023854
C 0.898597 -0.172088 -3.988251
C 4.431733 0.206985 0.888716
C -2.862126 -3.391973 0.862286
C -3.381462 1.306996 0.592978
C -0.026115 3.765163 0.899887
C -4.009317 -0.040792 0.295348
C -1.265712 4.462407 0.365897
H -0.381280 -1.318375 1.905374
H -0.830028 -2.636477 -0.731054
H -1.782948 -0.454025 -1.871005
H 1.618776 -0.110132 2.811892
H -1.116995 -4.668645 0.918560
H -1.186600 -3.495716 2.233073
H 2.971404 0.072805 -3.392702
H 4.502878 0.238572 -1.280976
H 1.022850 -4.233913 -0.031529
H 1.401511 -3.206621 1.354501
H 1.628953 -2.601115 -0.286099
H -1.220641 -0.402290 -4.302469
H 4.079799 0.152689 3.013894
H 1.126876 -0.139574 -5.052331
H 5.508346 0.330113 0.996017
H -3.494752 -3.993108 1.523172
H -3.119261 -3.647466 -0.171133
H -3.132370 -2.329805 1.014676
H -3.941264 2.140245 0.122935
H -3.279628 1.491264 1.682753
H 0.905534 4.280957 0.586498
H -0.035605 3.658034 2.002428
H -5.019967 -0.113400 0.709629
H -4.066424 -0.221834 -0.785190
H -3.409100 -0.871783 0.721081
H -1.177100 5.551408 0.448417
H -1.417813 4.223223 -0.698448
H -2.179603 4.166714 0.894331


%chk=000182350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182350

0 1
P -0.767735 1.205051 0.857082
O -2.301687 1.179591 0.030853
O 0.109234 2.525805 0.160249
O -0.922971 1.271011 2.453694
N -0.479243 -1.444870 0.878744
C 0.217485 -0.329087 0.222103
C 0.236512 -0.388907 -1.305510
C 1.700177 -0.067951 0.559058
C 1.561780 -0.185472 -1.788886
C 2.466112 0.011073 -0.638826
C -0.139574 -2.850975 0.519596
C -0.830967 -0.617842 -2.188301
C 2.300122 0.090420 1.818430
C -1.359117 -3.757141 0.835936
C 1.823708 -0.204973 -3.174781
C 3.857669 0.234012 -0.578475
C 1.136404 -3.384411 1.222544
C -0.564810 -0.643965 -3.579462
C 3.698891 0.312525 1.878409
C 0.750066 -0.436739 -4.067058
C 4.468602 0.382160 0.690011
C -2.593605 -3.455127 -0.035426
C -3.542431 1.436902 0.822304
C 0.100085 3.836456 0.871191
C -4.546534 0.322186 0.532743
C -1.131558 4.670032 0.501629
H -0.571513 -1.301221 1.895506
H 0.025884 -2.866319 -0.574670
H -1.843990 -0.755374 -1.800213
H 1.699526 0.053088 2.734308
H -1.050339 -4.812994 0.701549
H -1.616602 -3.642348 1.910216
H 2.837357 -0.046344 -3.559250
H 4.460183 0.295730 -1.491833
H 1.358058 -4.416045 0.890088
H 0.996698 -3.406504 2.321304
H 2.014739 -2.755063 1.001864
H -1.383200 -0.817672 -4.286917
H 4.189657 0.437414 2.850056
H 0.935288 -0.456391 -5.147096
H 5.548755 0.555419 0.755590
H -3.458559 -4.076365 0.261483
H -2.381905 -3.654975 -1.103130
H -2.871099 -2.391385 0.060603
H -3.923870 2.419940 0.487956
H -3.285309 1.489139 1.897569
H 1.031862 4.315771 0.528059
H 0.159791 3.654062 1.960997
H -5.502128 0.536414 1.048363
H -4.746848 0.246840 -0.550159
H -4.166738 -0.650125 0.889391
H -1.044456 5.684164 0.935314
H -1.219254 4.762560 -0.594262
H -2.058406 4.211323 0.889159


