%chk=000266908.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266908

0 1
P 0.038145 0.145493 0.877979
O 0.063588 0.308195 2.339229
O 2.776308 0.774861 -0.156040
O -1.995284 2.051649 -0.215328
O -0.713911 -2.692185 0.290383
N 1.287982 -0.921460 0.251443
N 0.252702 1.644654 -0.016203
N -1.463635 -0.525304 0.255280
N 3.484318 -1.446691 -0.472700
N -0.481924 3.685463 -0.975144
N -2.963608 -2.286309 -0.267288
N 4.830070 -1.011887 -0.652407
N -1.549044 4.610971 -1.167769
N -3.247809 -3.682345 -0.215249
C 2.561130 -0.428374 -0.107788
C -0.849873 2.452574 -0.369255
C -1.648713 -1.919375 0.131264
C 5.675729 -1.383771 0.526889
C 5.360295 -1.640156 -1.903869
C -1.509675 5.696976 -0.136644
C -1.426782 5.183920 -2.545739
C -4.073082 -4.017033 0.989365
C -3.968420 -4.059029 -1.472563
H 1.053179 -1.943833 0.158160
H 1.235562 1.920365 -0.275162
H -2.222608 0.151760 -0.017936
H 3.327996 -2.398565 -0.116733
H 0.455718 4.062480 -0.785613
H -3.732358 -1.629839 -0.079389
H 5.271182 -0.895437 1.430653
H 6.683019 -0.962631 0.368484
H 5.777073 -2.460176 0.721107
H 5.483465 -2.731333 -1.870557
H 6.336636 -1.176132 -2.121032
H 4.687732 -1.392920 -2.744943
H -1.617001 5.247845 0.866193
H -2.393295 6.340117 -0.287197
H -0.613466 6.332078 -0.146309
H -2.338906 5.770812 -2.743991
H -1.404768 4.358089 -3.279491
H -0.548351 5.820927 -2.717582
H -5.066700 -3.550604 1.031821
H -3.511968 -3.743122 1.899882
H -4.201516 -5.112341 1.019110
H -4.040378 -5.158985 -1.497807
H -3.360644 -3.752185 -2.342810
H -4.974512 -3.633009 -1.587607


%chk=000266908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266908

0 1
P 0.050892 0.175356 1.113875
O 0.086944 0.359362 2.688970
O 2.815564 0.881151 -0.100071
O -2.095497 2.040265 -0.125671
O -0.638128 -2.762391 0.394290
N 1.312379 -0.844674 0.426281
N 0.202751 1.650820 0.161940
N -1.414460 -0.546557 0.451906
N 3.483878 -1.380216 -0.211110
N -0.509118 3.689175 -0.703710
N -2.915099 -2.267972 0.013591
N 4.762810 -1.101517 -0.740276
N -1.457699 4.577038 -1.255774
N -3.277580 -3.596129 -0.297644
C 2.565341 -0.361390 0.027023
C -0.889718 2.440836 -0.218905
C -1.594375 -1.926958 0.293427
C 5.823605 -1.143798 0.291714
C 5.038763 -1.894791 -1.955252
C -1.838453 5.656675 -0.317040
C -1.065772 5.027661 -2.606322
C -3.959578 -4.273558 0.828129
C -3.972887 -3.686124 -1.597971
H 0.996693 -1.831614 0.324915
H 1.191417 1.836334 -0.106287
H -2.102926 0.178759 0.161885
H 3.261205 -2.334852 0.111342
H 0.459847 4.008143 -0.548449
H -3.649437 -1.553462 0.136339
H 5.558889 -0.449636 1.104804
H 6.770547 -0.803464 -0.161807
H 5.983056 -2.163111 0.720702
H 5.116628 -2.993669 -1.761616
H 5.994720 -1.553710 -2.388746
H 4.238280 -1.721370 -2.692122
H -2.199517 5.203514 0.619630
H -2.664384 6.236684 -0.763737
H -1.000004 6.357222 -0.083013
H -1.891330 5.623353 -3.032659
H -0.900151 4.148210 -3.249067
H -0.141562 5.657636 -2.614932
H -4.954171 -3.828202 1.075365
H -3.313569 -4.224336 1.718813
H -4.108085 -5.334759 0.563734
H -4.129042 -4.751276 -1.841308
H -3.339424 -3.237461 -2.379801
H -4.968643 -3.176997 -1.606288


