%chk=000196041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196041

0 1
P -3.573204 2.527993 1.156530
P -5.458215 0.186020 1.565382
O 2.096584 1.144314 -0.753641
O 2.195265 -1.162211 -0.728646
O -0.132262 0.009085 1.134530
O -1.970482 2.340025 1.037637
O 2.551501 -1.858243 2.194537
O 4.599610 -1.821741 1.481082
O 5.132147 -0.635988 -3.265729
O 2.969690 -0.536867 -3.197767
O -4.226927 1.045469 0.834086
O -3.868291 3.278793 -0.267640
O -4.132013 3.084225 2.395697
O 7.388912 2.210813 -0.040584
O 6.585899 2.512051 1.952760
O -4.655004 -0.549671 2.774012
O -6.256903 1.357382 2.345783
O -6.211517 -0.634350 0.619275
N -1.282532 -1.807315 0.187560
N 3.499232 -1.350435 1.635586
N 4.073131 -0.404647 -2.713730
N -3.387683 -2.458195 0.868053
N -1.842045 -1.198460 -2.182044
N 6.557780 2.050368 0.828553
N -4.184692 -1.614485 -2.741819
N -5.759053 -2.495498 -1.210061
C 0.732225 0.702542 -0.971164
C 0.794768 -0.844625 -0.902566
C -0.110690 1.154238 0.243455
C 0.047289 -1.223338 0.403540
C 2.939460 0.024018 -0.447753
C 3.256448 0.071483 1.086996
C -1.528421 1.588658 -0.138904
C 4.166514 0.108735 -1.319663
C 4.437034 0.932311 1.415111
C 5.303384 0.686046 -0.882401
C -2.135484 -1.656272 -0.924976
C 5.374828 1.202829 0.484577
C -2.125008 -2.280530 1.258147
C -3.435072 -2.085419 -0.489899
C -4.490051 -2.051598 -1.457981
C -2.913604 -1.232850 -3.034607
H 0.441492 1.125977 -1.952766
H 0.497788 -1.398336 -1.825293
H 0.385639 1.944436 0.859369
H 0.648831 -1.869866 1.100648
H 2.322007 0.473553 1.593464
H -2.200060 0.728263 -0.332297
H -1.531519 2.286585 -1.002528
H 4.506658 1.309012 2.446705
H 6.202661 0.786082 -1.519511
H -1.718899 -2.468317 2.245346
H -2.727988 -0.896523 -4.070646
H -4.790823 3.578500 -0.472021
H -6.078874 -2.530546 -0.239651
H -6.485301 -2.286479 -1.887450
H -4.415356 -1.522172 2.649085
H -5.726305 1.973670 2.974832


%chk=000196041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196041

0 1
P -4.023461 2.425330 1.328633
P -6.254025 0.204189 1.237217
O 2.163649 1.386685 -0.141349
O 2.133328 -0.920848 -0.662987
O -0.012929 0.165545 1.560341
O -2.382967 1.918590 1.484876
O 2.891657 -2.232460 1.913013
O 4.827620 -2.219323 0.707331
O 4.427601 0.323956 -3.750103
O 2.282657 0.578679 -3.013107
O -4.864569 1.206639 0.492566
O -3.787735 3.647935 0.144831
O -4.706084 2.819703 2.710121
O 7.830014 1.768692 -0.601354
O 7.551577 1.572943 1.658327
O -5.464294 -0.825572 2.224183
O -7.089579 1.397705 2.104259
O -7.032852 -0.397180 -0.013019
N -1.361526 -1.461322 0.447892
N 3.821455 -1.655293 1.252300
N 3.552961 0.443853 -2.814445
N -3.525881 -1.728737 0.967534
N -1.417385 -2.310638 -1.894369
N 7.146627 1.451511 0.443793
N -3.680208 -2.911872 -2.620699
N -5.622289 -2.429183 -1.390426
C 0.759236 1.065856 -0.503105
C 0.725117 -0.487060 -0.644917
C -0.136240 1.391734 0.711020
C 0.041591 -0.986059 0.663358
C 3.002693 0.195746 -0.318328
C 3.677028 -0.083736 1.078252
C -1.563760 1.748123 0.263130
C 4.025602 0.446987 -1.415220
C 5.022750 0.533173 1.294625
C 5.319886 0.789699 -1.161568
C -1.995173 -1.980114 -0.708907
C 5.775484 0.898895 0.217694
C -2.322275 -1.347876 1.430251
C -3.374363 -2.099832 -0.379839
C -4.267337 -2.481920 -1.441573
C -2.335290 -2.821903 -2.778147
H 0.508978 1.598136 -1.433050
H 0.257273 -0.875736 -1.561758
H 0.272312 2.205723 1.328832
H 0.635409 -1.767882 1.162939
H 2.942322 0.196763 1.850690
H -2.016848 0.977072 -0.388131
H -1.530496 2.704017 -0.291887
H 5.416702 0.638299 2.310133
H 6.012350 1.018984 -1.977493
H -2.130933 -0.936897 2.416281
H -1.935720 -3.179345 -3.731152
H -4.611760 4.028069 -0.251953
H -6.158200 -1.814764 -0.737552
H -6.105160 -2.744699 -2.234972
H -4.481459 -1.463973 1.577338
H -6.480585 1.963492 2.678253


