%chk=000185963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185963

0 1
P 0.004128 0.609481 1.442513
O -1.516181 -0.063656 1.512375
O 0.790469 -0.639683 0.649571
O 0.122992 1.947729 0.824969
C -2.220003 -0.061246 0.297248
C 1.997486 -0.286318 0.034191
C -2.242616 -1.262543 -0.441566
C 1.993458 0.308916 -1.244022
C -2.974769 1.071177 -0.069450
C 3.185895 -0.680802 0.682652
C 0.477517 0.429239 3.220623
C -3.026426 -1.302483 -1.603291
C 3.235863 0.550352 -1.851933
C -3.744848 0.988132 -1.239981
C 4.403939 -0.423523 0.040151
C -3.765728 -0.184582 -1.997556
C 4.424854 0.193623 -1.213627
C -1.452608 -2.444174 0.001317
C 0.725511 0.683097 -1.927754
C -2.953879 2.318028 0.744181
C 3.142580 -1.368082 2.006151
H 0.323758 1.370700 3.765969
H -0.126696 -0.345233 3.715168
H 1.538276 0.147337 3.326792
H -3.060565 -2.212565 -2.198619
H 3.268507 1.022312 -2.832643
H -4.332381 1.847739 -1.556932
H 5.338417 -0.708359 0.518896
H -4.368512 -0.229839 -2.903938
H 5.379080 0.393738 -1.699693
H -0.371789 -2.283532 -0.178382
H -1.738447 -3.368152 -0.513093
H -1.562295 -2.613865 1.083419
H 0.853478 0.843063 -3.004626
H 0.323762 1.626958 -1.505896
H -0.055455 -0.082778 -1.802726
H -3.030388 2.103221 1.819730
H -2.003372 2.868469 0.591118
H -3.767955 3.006381 0.488853
H 4.086545 -1.872007 2.249320
H 2.929276 -0.655909 2.821267
H 2.348423 -2.132360 2.024854


%chk=000185963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185963

0 1
P 0.032427 0.705375 1.654765
O -1.570158 0.042387 1.477676
O 0.974271 -0.507223 0.782741
O 0.286876 2.212129 1.208043
C -2.302667 -0.034708 0.247685
C 2.168424 -0.228889 0.042613
C -2.365081 -1.299193 -0.394555
C 2.086349 0.389882 -1.232582
C -3.014706 1.107813 -0.202906
C 3.386150 -0.703907 0.597629
C 0.261369 0.305531 3.448190
C -3.152091 -1.392141 -1.569598
C 3.296703 0.547576 -1.953634
C -3.786995 0.963666 -1.382808
C 4.567596 -0.528772 -0.163247
C -3.851278 -0.270236 -2.066775
C 4.527233 0.098520 -1.427652
C -1.629219 -2.500264 0.163455
C 0.765661 0.859799 -1.807190
C -2.972941 2.420493 0.554848
C 3.416690 -1.384693 1.952368
H -0.504762 0.842486 4.028096
H 0.149424 -0.779278 3.586874
H 1.264702 0.632853 3.758998
H -3.214815 -2.354762 -2.090149
H 3.263814 1.023847 -2.940357
H -4.345130 1.829257 -1.757965
H 5.519681 -0.890055 0.242683
H -4.452669 -0.359802 -2.978127
H 5.449554 0.229396 -2.004032
H -0.545857 -2.300162 0.244037
H -1.781172 -3.384759 -0.477942
H -1.985762 -2.743825 1.181621
H 0.886115 1.172496 -2.857930
H 0.372721 1.720055 -1.234061
H -0.001472 0.065019 -1.769134
H -3.310306 2.283550 1.599482
H -1.948685 2.832700 0.602671
H -3.628452 3.167098 0.075936
H 4.414797 -1.807649 2.156276
H 3.181544 -0.675708 2.769683
H 2.671416 -2.197904 2.009872


