%chk=000189858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189858

0 1
P -6.179874 -0.676876 -0.136324
O -3.035446 1.043530 -0.750593
O -6.965135 0.500582 0.750561
O -5.614305 0.210072 -1.383049
O -7.034441 -1.815796 -0.518107
O 2.436387 2.719849 -0.220940
O 1.486384 1.688594 1.527249
N -3.863093 -1.534258 0.046835
N -1.411387 1.054180 0.835324
C -2.439424 -1.122108 0.253298
C -1.567161 -1.832720 -0.804974
C -0.113287 -1.485605 -0.650211
C -2.341253 0.401416 0.028575
C -4.785966 -1.023555 1.082189
C 0.612604 -1.964827 0.451592
C 0.524246 -0.673855 -1.599559
C 2.584069 -0.779138 -0.320713
C -1.163408 2.504799 0.667169
C 1.951746 -1.611500 0.617503
C 1.866973 -0.326550 -1.438796
C 3.986095 -0.356784 -0.110726
C 0.089849 2.777356 -0.176564
C 4.963219 -0.611363 -1.084745
C 4.336422 0.314833 1.072544
C 1.342991 2.320149 0.503833
C 6.281251 -0.196827 -0.873531
C 5.654629 0.727970 1.275419
C 6.628653 0.473452 0.303716
H -2.071599 -1.379295 1.281870
H -1.940352 -1.573818 -1.822593
H -1.700875 -2.933353 -0.731558
H -3.907953 -2.566671 0.009750
H -5.082509 -1.733289 1.875109
H -4.462532 -0.095154 1.592051
H 0.134867 -2.618624 1.179292
H -0.026777 -0.312662 -2.467968
H -0.685144 0.543800 1.346282
H -2.051085 2.979617 0.177388
H -1.057050 2.956688 1.681093
H 2.511017 -1.978505 1.478808
H 2.357652 0.307480 -2.178034
H 0.163144 3.860872 -0.423132
H 0.009291 2.275429 -1.171021
H 4.695577 -1.138594 -1.999426
H 3.572028 0.510477 1.830678
H -7.832366 0.812373 0.401712
H -4.616688 0.469031 -1.364967
H 7.040095 -0.398788 -1.628669
H 5.925780 1.244751 2.195386
H 7.656445 0.793941 0.465309
H 3.301498 2.382573 0.155165


%chk=000189858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189858

0 1
P -5.832570 -0.089212 0.915209
O -3.317916 0.684333 -1.349714
O -4.507016 0.728691 1.749777
O -5.867141 0.608730 -0.651275
O -7.230250 -0.005011 1.672060
O 2.355277 2.680541 -0.253397
O 0.960560 1.769792 1.364353
N -3.914823 -1.871544 -0.299836
N -1.566461 0.978158 0.141061
C -2.589102 -1.290683 -0.054340
C -1.538185 -2.134630 -0.859855
C -0.090474 -1.730983 -0.640077
C -2.517340 0.212465 -0.460231
C -4.970023 -1.801262 0.684845
C 0.524703 -1.891701 0.630000
C 0.678397 -1.156125 -1.682607
C 2.599271 -0.835690 -0.174017
C -1.405256 2.419321 -0.115983
C 1.840625 -1.446022 0.861562
C 2.000801 -0.720479 -1.457640
C 3.957517 -0.279802 0.087808
C -0.011785 2.760630 -0.679996
C 4.990380 -0.358872 -0.886400
C 4.239289 0.383150 1.318261
C 1.109517 2.350740 0.259647
C 6.263375 0.198201 -0.639245
C 5.515414 0.939374 1.565254
C 6.533143 0.850692 0.586921
H -2.370904 -1.376117 1.026510
H -1.795984 -2.065856 -1.934007
H -1.708203 -3.182410 -0.550351
H -4.226670 -1.764615 -1.271321
H -5.793985 -2.477977 0.400978
H -4.609044 -2.087163 1.686218
H -0.031396 -2.371249 1.445823
H 0.228559 -1.029884 -2.674945
H -0.943071 0.572987 0.846772
H -2.187016 2.710155 -0.836099
H -1.573538 2.969336 0.828327
H 2.289804 -1.580349 1.851624
H 2.557496 -0.242597 -2.271790
H 0.069240 3.846879 -0.873547
H 0.154623 2.255926 -1.649500
H 4.802856 -0.884375 -1.829634
H 3.449319 0.470781 2.073471
H -4.781234 1.569045 2.198004
H -4.943264 0.705904 -1.080853
H 7.048031 0.117097 -1.399640
H 5.711246 1.444253 2.517849
H 7.521972 1.281456 0.777553
H 3.085038 2.299268 0.315910


