%chk=000279197.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279197

0 1
P -0.525598 0.157655 -0.316094
O -0.622761 0.514839 -1.759517
O 2.256512 -5.627869 1.792102
O 2.299884 -5.955469 -0.345699
N -2.061755 0.022778 0.519646
N 0.384723 1.297108 0.692865
N 2.040688 -5.286992 0.640570
C 0.262382 -1.483031 0.032965
C -3.066802 1.013961 0.255518
C 1.792711 1.333110 0.336841
C 0.519086 -1.908480 1.335356
C 0.570766 -2.267355 -1.076055
C -3.786037 1.557372 1.337147
C 2.264210 2.041445 -0.782499
C -3.391379 1.391969 -1.063176
C 2.694953 0.656237 1.175012
C 1.103987 -3.162354 1.539605
C 1.157404 -3.524791 -0.881984
C 1.415744 -3.954791 0.425217
C -5.144722 2.850092 -0.207608
C 4.538375 1.380992 -0.234838
C -4.820082 2.464770 1.100074
C 3.630557 2.061507 -1.062134
C -4.419168 2.304813 -1.281834
C 4.058525 0.679794 0.884089
C -6.248635 3.821950 -0.470411
C 6.001824 1.395807 -0.532330
H -2.042086 -0.283581 1.509082
H -0.011242 2.261262 0.724545
H 0.286907 -1.285086 2.203013
H 0.367872 -1.922585 -2.099910
H -3.549826 1.271003 2.358751
H 1.569682 2.563040 -1.443113
H -2.845074 0.977835 -1.919216
H 2.328903 0.125027 2.052188
H 1.320418 -3.529019 2.548274
H 1.412660 -4.165575 -1.732914
H -5.374859 2.873919 1.943035
H 3.990812 2.607925 -1.932978
H -4.665683 2.595159 -2.303166
H 4.756639 0.152902 1.532955
H -7.068074 3.347224 -1.029674
H -6.682828 4.230989 0.450587
H -5.898334 4.675491 -1.067837
H 6.249234 1.983332 -1.426191
H 6.575497 1.824377 0.302261
H 6.384991 0.378794 -0.701621


%chk=000279197-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279197

0 1
P -0.435218 -0.358969 -0.600893
O -0.367001 -0.176657 -2.190777
O 1.551329 -6.326073 2.111400
O 1.388378 -6.922136 -0.084399
N -1.973238 -0.208566 0.222881
N 0.483986 0.800123 0.330066
N 1.300926 -6.062755 0.873245
C 0.085478 -2.085517 -0.110516
C -2.851889 0.915138 0.157713
C 1.804540 1.266563 0.070166
C 0.390272 -2.409688 1.232057
C 0.195806 -3.053022 -1.136655
C -4.023790 0.923921 0.956093
C 2.487546 0.975552 -1.138459
C -2.577310 2.029167 -0.679631
C 2.458699 2.045577 1.062146
C 0.788972 -3.719990 1.563719
C 0.597668 -4.366312 -0.819397
C 0.880872 -4.675724 0.528504
C -4.636553 3.155399 0.097291
C 4.473876 2.222830 -0.349819
C -4.900166 2.029849 0.916776
C 3.804876 1.446605 -1.328312
C -3.459643 3.127481 -0.695860
C 3.768073 2.517947 0.845991
C -5.583743 4.342392 0.052555
C 5.889720 2.729222 -0.567375
H -2.362875 -1.068370 0.616096
H -0.016035 1.227056 1.113550
H 0.340449 -1.640484 2.010151
H -0.024670 -2.760811 -2.169067
H -4.248705 0.071423 1.609435
H 1.980483 0.419161 -1.933663
H -1.700563 2.023087 -1.336194
H 1.942037 2.278138 2.002236
H 1.033252 -4.010696 2.588511
H 0.694967 -5.142043 -1.583137
H -5.802938 2.015585 1.539308
H 4.316740 1.213384 -2.269855
H -3.232896 3.976725 -1.352252
H 4.252511 3.121340 1.623994
H -6.042878 4.454226 -0.948222
H -6.402671 4.233006 0.784450
H -5.057673 5.289599 0.274899
H 6.273353 2.437758 -1.560341
H 5.940536 3.832377 -0.499264
H 6.586109 2.324684 0.191758


