%chk=000267074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267074

0 1
P -0.085925 -0.215053 0.450946
O -0.212409 -0.420437 1.900737
O 2.692206 -0.994580 -0.621309
O -0.440317 2.774564 -0.045430
O -2.033774 -1.785374 -0.091787
N 3.567655 1.165163 -0.723069
N -2.609044 2.663636 -0.915317
N -1.122314 -3.612846 -1.283504
N 1.331889 0.752994 0.020345
N -1.407128 0.696911 -0.283980
N 0.136988 -1.677044 -0.506639
C 4.990999 0.912727 -0.363652
C 4.209366 2.023143 0.313400
C -3.134697 3.968608 -0.423457
C -3.907546 2.686222 -0.181195
C -0.387419 -4.834044 -0.845223
C -1.901673 -4.773242 -0.766172
C 2.539580 0.204603 -0.413545
C -1.412931 2.092272 -0.345828
C -1.063818 -2.379609 -0.570860
H 5.269972 0.009805 0.188128
H 5.715608 1.141203 -1.154006
H 4.360345 3.069526 0.022014
H 3.923304 1.937461 1.365209
H -2.638836 4.486264 0.404096
H -3.444355 4.668452 -1.208292
H -4.788240 2.442922 -0.787254
H -3.987134 2.269442 0.826684
H 0.215951 -4.826580 0.067199
H 0.107742 -5.391406 -1.649993
H -2.521683 -5.284119 -1.512844
H -2.408088 -4.712870 0.202852
H 1.232869 1.805898 0.052567
H -2.261126 0.169800 -0.588197
H 1.048383 -1.978212 -0.919724


%chk=000267074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267074

0 1
P -0.043806 -0.110713 0.654506
O -0.092906 -0.251323 2.233569
O 2.683480 -1.181735 -0.354969
O -0.360554 2.881179 -0.081939
O -2.363103 -1.775793 -0.536728
N 3.567553 0.967081 -0.734647
N -2.596479 2.638872 -0.780775
N -0.955303 -3.517147 -1.265410
N 1.365164 0.728391 0.005836
N -1.386834 0.768950 -0.075145
N -0.037994 -1.624641 -0.248478
C 5.006861 0.799112 -0.447907
C 4.238350 2.024358 0.073529
C -3.207494 3.935437 -0.421619
C -3.938591 2.614558 -0.132079
C -0.333603 -4.733843 -0.670354
C -1.800870 -4.720832 -1.129372
C 2.555855 0.088016 -0.334473
C -1.388481 2.149223 -0.271802
C -1.198297 -2.285070 -0.649348
H 5.285234 0.021392 0.272413
H 5.675822 0.906173 -1.306876
H 4.363587 2.993525 -0.418852
H 4.012950 2.063748 1.146221
H -2.768706 4.477108 0.424100
H -3.527141 4.556626 -1.263495
H -4.770917 2.303492 -0.770685
H -3.992238 2.281830 0.911658
H -0.139186 -4.729152 0.409087
H 0.422921 -5.231526 -1.284636
H -2.078471 -5.212315 -2.066506
H -2.580626 -4.698911 -0.359480
H 1.222745 1.749600 -0.106145
H -2.179310 0.159413 -0.350370
H 0.914791 -1.978882 -0.455929


