%chk=000194363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194363

0 1
P 3.242515 0.798713 -1.647000
O 0.972186 -2.815382 0.667066
O 1.940091 -0.030908 2.853706
O 4.293855 -1.525463 2.879353
O 3.300222 -0.531438 -0.569216
O -5.012681 -0.720490 -2.585462
O -3.422572 -4.613159 -0.568573
O 2.620655 2.117040 -0.720848
O 4.895959 1.244927 -1.665130
O 2.510325 0.470580 -3.006880
N -1.283974 -0.376472 0.583844
N -3.033526 0.829665 -1.310910
N -4.168258 -2.629824 -1.535059
C 0.956992 -1.407559 1.094149
C -0.426687 -0.970000 1.636734
C 2.041598 -1.338925 2.184302
C 3.470238 -1.540618 1.645728
C -1.142354 0.992338 0.286429
C -2.202032 -1.185467 -0.127903
C -2.045337 1.576559 -0.665675
C -3.100185 -0.472620 -1.058911
C 3.987750 -0.404525 0.746438
C -0.156986 1.820907 0.889773
C -0.086153 3.203934 0.592550
C -1.948006 2.960474 -0.966078
C -0.992880 3.791311 -0.357556
C -2.288829 -2.565470 0.025576
C -4.170986 -1.249653 -1.793251
C -3.291135 -3.352794 -0.675438
C 0.949281 4.062873 1.294060
C -0.925276 5.269262 -0.688358
H 1.240994 -0.751606 0.250813
H -0.943143 -1.837440 2.077327
H -0.287220 -0.227941 2.437961
H 1.858661 -2.152573 2.916802
H 3.527395 -2.511505 1.119382
H 3.768123 0.578207 1.202482
H 5.075164 -0.503722 0.578049
H 0.547007 1.413569 1.622985
H -2.661313 3.353212 -1.697419
H 0.572498 -2.900647 -0.234778
H -1.631338 -3.140820 0.678594
H 2.661613 -0.001071 3.534581
H 5.193640 -1.895851 2.702840
H 0.460819 4.844722 1.906582
H 1.592372 3.461846 1.957208
H 1.603040 4.588261 0.572567
H -4.878203 -3.187979 -2.022903
H -1.685339 5.543057 -1.438070
H -1.094665 5.895192 0.208718
H 0.065293 5.553186 -1.092062
H 1.636663 2.114172 -0.561351
H 5.154026 1.928013 -2.332972


%chk=000194363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194363

0 1
P 3.239158 0.430339 -1.671988
O 1.057229 -2.388898 0.266936
O 2.020966 0.050379 2.899829
O 4.252283 -1.478857 3.032113
O 3.411702 -0.871199 -0.557570
O -5.235081 -0.674026 -2.325012
O -3.262670 -4.600212 -0.803072
O 2.645911 1.769192 -0.759577
O 4.877675 0.907006 -1.785383
O 2.432572 0.013829 -2.962833
N -1.285188 -0.344795 0.539062
N -3.164349 0.880675 -1.215322
N -4.209479 -2.596768 -1.513054
C 1.027894 -1.166913 1.066380
C -0.407709 -0.943697 1.571895
C 2.031123 -1.261437 2.234018
C 3.467690 -1.607280 1.783671
C -1.190761 1.036134 0.283057
C -2.194534 -1.155711 -0.186228
C -2.142024 1.625448 -0.618553
C -3.187491 -0.429100 -1.001756
C 4.077306 -0.629618 0.761124
C -0.207224 1.876985 0.878210
C -0.158742 3.264132 0.589172
C -2.071614 3.013728 -0.902803
C -1.099223 3.848587 -0.326021
C -2.184421 -2.541489 -0.144018
C -4.298410 -1.207381 -1.671166
C -3.206324 -3.330971 -0.812047
C 0.890116 4.125103 1.266944
C -1.056312 5.329464 -0.649274
H 1.314258 -0.292365 0.455831
H -0.841209 -1.902655 1.896244
H -0.379341 -0.269026 2.444938
H 1.714996 -2.053797 2.945422
H 3.493841 -2.641815 1.392062
H 3.911133 0.412861 1.088537
H 5.156152 -0.818449 0.627138
H 0.502260 1.481745 1.612419
H -2.822368 3.408951 -1.594458
H 1.763037 -2.285259 -0.425828
H -1.382705 -3.110209 0.326537
H 2.726023 0.027133 3.599164
H 5.097055 -1.988148 2.972454
H 0.416250 4.883495 1.919520
H 1.571454 3.519901 1.886823
H 1.500449 4.680190 0.529943
H -4.940137 -3.157533 -1.966139
H -1.856816 5.604317 -1.355389
H -1.180106 5.948952 0.259557
H -0.090295 5.621229 -1.104219
H 1.657277 1.841148 -0.627239
H 5.058621 1.716781 -2.325252


