%chk=000200629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200629

0 1
P 2.246382 0.365221 0.673455
P -1.953259 -0.865288 0.564970
O 3.141384 1.043345 1.665937
O -2.309037 0.747999 0.589118
O -2.511057 -1.381196 -0.915701
O -2.518456 -1.561463 1.738686
N 2.977463 -1.089230 -0.034190
N 1.826212 1.372574 -0.718553
C 4.387997 -1.406110 0.349532
C 3.246651 -2.270423 0.841391
C 2.630627 1.309990 -1.978574
C 2.742177 2.505934 -1.059816
C 0.562242 -0.157799 1.299349
C -0.119238 -0.993491 0.239015
C -1.948137 1.522591 -0.593215
C -3.891073 -1.830304 -0.952111
C -2.858278 2.735645 -0.519892
C -4.840205 -0.649407 -1.056782
H 5.025529 -1.749444 -0.472155
H 4.948034 -0.772985 1.052072
H 2.980892 -2.290740 1.902046
H 3.049022 -3.241163 0.370638
H 3.463362 0.611372 -2.105107
H 2.037884 1.374392 -2.898674
H 2.235758 3.445307 -1.310174
H 3.656990 2.700923 -0.486720
H 0.002541 0.773122 1.568045
H 0.672850 -0.707357 2.260571
H 0.091324 -0.672907 -0.806230
H 0.196736 -2.058145 0.274848
H -2.114829 0.936042 -1.517041
H -0.877769 1.799496 -0.497725
H -3.891471 -2.446114 -1.874469
H -4.112185 -2.474773 -0.077260
H -2.578700 3.495357 -1.256906
H -2.809460 3.194095 0.479500
H -3.908111 2.461571 -0.682269
H -5.854760 -0.980595 -1.308500
H -4.516340 0.055855 -1.832866
H -4.911890 -0.081896 -0.117142


%chk=000200629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200629

0 1
P 2.401783 0.145057 0.640156
P -2.025098 -0.743109 0.482766
O 3.402319 0.803945 1.721479
O -2.446452 0.956991 0.471648
O -2.698093 -1.412778 -0.980318
O -2.508044 -1.428096 1.834294
N 2.867765 -1.476279 0.020978
N 2.197685 1.062180 -0.896328
C 4.352992 -1.783354 -0.073774
C 3.525402 -2.416757 1.024602
C 3.446170 1.569706 -1.594651
C 2.560074 2.541783 -0.844524
C 0.621295 -0.096657 1.167845
C -0.204096 -0.789378 0.070086
C -2.252785 1.751452 -0.774568
C -4.047834 -2.046378 -0.895871
C -2.898250 3.111261 -0.519032
C -5.167917 -1.006557 -1.000700
H 4.629425 -2.362360 -0.959502
H 5.058971 -1.001793 0.234913
H 3.694890 -2.045927 2.043612
H 3.197722 -3.456581 0.937045
H 4.421889 1.343857 -1.146779
H 3.399637 1.507652 -2.685746
H 1.869120 3.189158 -1.392247
H 2.945778 2.932519 0.105870
H 0.231843 0.911380 1.401505
H 0.628332 -0.678514 2.106033
H -0.068307 -0.294650 -0.906137
H 0.081351 -1.847031 -0.046623
H -2.727938 1.223533 -1.623454
H -1.166917 1.853537 -0.982179
H -4.055495 -2.746725 -1.747437
H -4.114852 -2.615751 0.050670
H -2.777084 3.763563 -1.404073
H -2.431384 3.605623 0.349808
H -3.975286 2.994167 -0.311574
H -6.151195 -1.513548 -1.003241
H -5.077397 -0.423802 -1.934252
H -5.142221 -0.311338 -0.143200


