%chk=000189010.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189010

0 1
P -2.978289 2.144590 -0.688387
P -3.712903 0.339601 1.725469
P -2.345819 -1.965841 0.816888
P 0.585225 -2.648638 1.758564
O 0.508637 0.318397 -0.103826
O 0.764184 1.673851 2.866914
O 2.764432 0.365519 2.239892
O -1.674945 3.081024 -0.455153
O 2.445591 2.815064 -1.076139
O -3.119909 1.573605 0.884155
O -2.324948 0.835381 -1.422932
O -4.195451 2.735693 -1.209212
O 3.971783 1.205408 -5.073521
O -2.336163 -0.590812 1.772681
O -4.253057 -0.609035 0.465572
O -4.487162 0.587434 2.915214
O -1.028400 -2.652179 1.495040
O -1.846048 -1.418585 -0.625009
O -3.489993 -2.868270 0.868052
O 0.596394 -3.949949 2.723909
O 0.802238 -1.368094 2.733766
O 1.469538 -2.632944 0.584430
N 2.531022 0.513316 -1.323556
N 3.222971 2.004689 -3.087440
C 1.076473 1.991313 1.517059
C 2.361320 1.196495 1.131189
C -0.012544 1.523808 0.531112
C 1.942080 0.223624 0.006720
C -0.354341 2.506944 -0.595056
C 2.713933 1.860249 -1.790156
C 2.788414 -0.587991 -2.175420
C 3.271351 -0.409390 -3.423999
C 3.538343 0.906599 -3.987473
H 1.235556 3.093591 1.532156
H 3.225289 1.850465 0.880356
H -0.916028 1.164271 1.085058
H 2.141299 -0.867952 0.255924
H 0.275311 3.428260 -0.578305
H -0.244259 2.016932 -1.586869
H 0.283675 0.797514 2.939792
H 2.615303 0.886073 3.096688
H 2.577487 -1.585598 -1.747300
H 3.384512 2.967769 -3.422831
H 3.489599 -1.254506 -4.083527
H -2.910653 0.042307 -1.644824
H -5.021613 -1.247270 0.568340
H -1.055574 -0.775588 -0.673643
H -0.277113 -4.196186 3.158163
H 1.688252 -0.808656 2.574473


%chk=000189010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189010

0 1
P -3.512477 2.894087 0.611248
P -3.499386 -0.022224 2.010379
P -1.893414 -2.081736 0.315516
P 0.862363 -3.017335 1.582820
O 0.426864 0.523294 -0.692114
O 0.578927 2.725662 2.202089
O 1.750995 0.515485 2.216146
O -1.924620 3.328899 0.086876
O 2.569399 2.661440 -1.525955
O -3.137045 1.625109 1.811016
O -4.150535 1.991768 -0.674857
O -4.287730 4.111697 1.224031
O 5.253267 0.409406 -4.620102
O -2.002440 -0.702426 1.419178
O -4.536260 -0.263632 0.630448
O -3.981750 -0.501125 3.423263
O -0.867621 -3.134262 1.181710
O -1.053741 -1.458901 -0.963051
O -3.346697 -2.660732 0.036448
O 0.937251 -4.501621 2.376966
O 1.001494 -1.862358 2.771635
O 1.800380 -2.799270 0.317864
N 2.764403 0.326320 -1.330844
N 3.906449 1.488153 -3.044650
C 0.919329 2.341663 0.831770
C 2.029489 1.258068 0.963866
C -0.235644 1.586346 0.137116
C 1.838770 0.273348 -0.209718
C -1.130878 2.417676 -0.785667
C 3.052704 1.574395 -1.950289
C 3.273764 -0.886290 -1.844501
C 4.106755 -0.922565 -2.928513
C 4.496036 0.307100 -3.620278
H 1.278841 3.196264 0.242817
H 3.044973 1.680131 1.007830
H -0.840411 1.073360 0.906353
H 1.873461 -0.768468 0.154634
H -0.546766 3.084331 -1.439099
H -1.800997 1.784888 -1.394137
H -0.185975 3.352062 2.217232
H 1.298144 1.182705 2.820307
H 2.957581 -1.789058 -1.310910
H 4.136193 2.377412 -3.502182
H 4.496731 -1.868423 -3.305058
H -4.543289 1.090665 -0.390011
H -4.540347 -1.226091 0.305214
H -0.387419 -0.614465 -0.878652
H 0.069725 -4.978590 2.450673
H 1.366155 -0.909860 2.508141


