%chk=000276857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276857

0 1
P 1.743779 0.082834 -0.004010
O -1.319809 1.145520 0.155469
O -2.099066 -3.342928 -0.736808
O -7.627121 -0.221447 -0.005352
N -2.094355 -1.038235 -0.279587
C 0.196254 -0.683440 -0.213300
C 0.021452 -2.130438 -0.524506
C 3.077556 -1.144925 -0.333309
C 2.038337 1.528763 -1.107113
C 1.988857 0.735218 1.701748
C -1.041494 -0.023864 -0.082616
C -1.499203 -2.309125 -0.542293
C 3.208094 -1.636354 -1.635174
C 3.278242 1.699115 -1.728779
C 3.141066 1.469086 1.999299
C 3.896203 -1.601817 0.698227
C 1.010438 2.455010 -1.278014
C 1.004472 0.509517 2.661186
C -3.509471 -0.787538 -0.217026
C 4.189417 -2.595170 -1.907731
C 3.485974 2.814192 -2.545495
C 3.315955 1.968055 3.292411
C 4.876961 -2.562089 0.417320
C 1.226778 3.570652 -2.099137
C 1.186119 1.015772 3.956906
C 5.022645 -3.056563 -0.882002
C 2.458828 3.748742 -2.731404
C 2.337691 1.739926 4.270238
C -4.001579 0.523356 -0.334603
C -4.409619 -1.862897 -0.036637
C -5.375412 0.772174 -0.268651
C -5.776038 -1.626954 0.025372
C -6.248559 -0.304314 -0.089953
C -8.225983 1.089586 -0.118005
H 0.434004 -2.429989 -1.508312
H 0.462245 -2.810446 0.231083
H 2.562295 -1.294166 -2.449746
H 4.094931 0.985551 -1.600856
H 3.906027 1.671787 1.246824
H 3.795364 -1.237426 1.724686
H 0.026945 2.339503 -0.786963
H 0.085649 -0.043617 2.430471
H 4.300899 -2.987717 -2.918214
H 4.445452 2.957238 -3.038969
H 4.207214 2.541781 3.540475
H 5.522522 -2.927377 1.215370
H 0.426565 4.296770 -2.241397
H 0.419939 0.848885 4.713734
H 5.784487 -3.806853 -1.097129
H 2.623844 4.615929 -3.370946
H 2.475893 2.135382 5.276922
H -3.310549 1.363630 -0.463872
H -4.034932 -2.889355 0.041645
H -5.736522 1.790912 -0.355964
H -6.485036 -2.440765 0.159243
H -9.294240 0.859217 -0.019489
H -8.007768 1.524806 -1.097342
H -7.887137 1.734198 0.697978


%chk=000276857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276857

0 1
P 1.732810 0.101719 -0.050001
O -1.305641 1.152457 0.162510
O -2.172207 -3.426396 -0.799944
O -7.691384 -0.149216 0.184010
N -2.112547 -1.088112 -0.309517
C 0.189914 -0.736273 -0.304059
C -0.017047 -2.199084 -0.627857
C 3.087147 -1.139964 -0.366430
C 2.090130 1.590113 -1.143339
C 1.950531 0.738992 1.705853
C -1.055511 -0.069524 -0.125403
C -1.548410 -2.349831 -0.594613
C 3.204899 -1.706270 -1.661122
C 3.345719 1.734345 -1.782820
C 2.969798 1.670121 2.018275
C 3.963785 -1.540788 0.667977
C 1.082129 2.576590 -1.297688
C 1.077217 0.263122 2.708847
C -3.519810 -0.820820 -0.195125
C 4.200923 -2.673618 -1.915932
C 3.593623 2.869996 -2.587789
C 3.122593 2.113166 3.351114
C 4.959347 -2.510603 0.406537
C 1.343414 3.705826 -2.105149
C 1.231296 0.713595 4.039144
C 5.078999 -3.077774 -0.882285
C 2.593855 3.856055 -2.750357
C 2.255531 1.633760 4.361830
C -4.041566 0.450003 -0.537742
C -4.408124 -1.834293 0.260351
C -5.423084 0.715576 -0.420046
C -5.784248 -1.574667 0.368362
C -6.300247 -0.299261 0.032572
C -8.265410 1.151254 -0.160843
H 0.327619 -2.516636 -1.631084
H 0.423167 -2.910434 0.097508
H 2.527114 -1.393301 -2.463381
H 4.125149 0.973744 -1.663912
H 3.626478 2.060803 1.232484
H 3.871683 -1.107076 1.669163
H 0.116363 2.448930 -0.791872
H 0.277191 -0.435683 2.438907
H 4.288059 -3.111261 -2.915962
H 4.564244 2.981705 -3.083522
H 3.908728 2.835039 3.597739
H 5.635022 -2.822350 1.210064
H 0.566687 4.468340 -2.228626
H 0.547516 0.356286 4.816391
H 5.849304 -3.830912 -1.080965
H 2.787798 4.735123 -3.375171
H 2.370977 1.985030 5.393259
H -3.363033 1.237623 -0.869225
H -4.021941 -2.825826 0.503424
H -5.794281 1.710073 -0.685293
H -6.477002 -2.349081 0.711408
H -9.344399 1.050451 0.029337
H -8.096361 1.397918 -1.227752
H -7.849004 1.958599 0.473664


