%chk=000189091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189091

0 1
P 4.673602 0.095728 0.415883
O 0.571893 -1.081416 1.146351
O 3.626349 -0.601193 -0.685715
O 4.090409 -0.235423 1.920564
O 1.630330 -2.303440 -1.653605
O 4.221096 1.679073 0.275028
O 6.075502 -0.238344 0.200906
O -4.632648 -4.143453 -0.207416
N -1.057033 -0.320701 -0.329248
N -3.185683 0.546984 0.033447
N -2.763188 -1.829460 0.635917
N 0.004629 1.758445 -1.264125
N -1.567976 3.621874 -1.470686
N -3.833756 3.474401 -0.806229
C 2.267234 -0.311089 -0.316270
C 2.007494 -0.982009 1.058502
C 1.232147 -1.005809 -1.221219
C 0.054097 -1.263111 -0.219462
C 2.659040 -0.143118 2.153927
C -1.030116 1.025771 -0.745004
C -2.406913 -0.538967 0.174647
C -2.359411 1.530150 -0.549978
C -2.609443 2.878502 -0.940246
C -4.219758 -2.012489 0.920173
C -0.342395 3.035696 -1.600267
C -4.507180 -3.513295 1.069099
H 2.091946 0.800038 -0.335310
H 2.393977 -2.033137 1.085982
H 0.947628 -0.421084 -2.123685
H -0.314467 -2.319204 -0.273209
H 2.342888 0.916949 2.171327
H 2.549977 -0.577602 3.167571
H 2.618819 -2.344799 -1.736823
H -2.170279 -2.143172 1.418550
H 4.895559 2.330232 -0.038675
H -4.811397 -1.606037 0.061266
H -4.552869 -1.448773 1.818465
H 0.455936 3.668864 -2.025801
H -5.501452 -3.686173 1.527947
H -3.734826 -4.042407 1.656879
H -4.616166 2.952474 -0.442192
H -3.980634 4.424959 -1.108282
H -3.830760 -3.972138 -0.750585


%chk=000189091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189091

0 1
P 4.712775 0.012907 0.646530
O 0.443259 -1.313623 1.000698
O 3.607187 -0.419440 -0.653574
O 4.016094 -0.696652 2.059865
O 1.692028 -2.132068 -1.815713
O 4.334413 1.673670 0.940086
O 6.212190 -0.359228 0.348425
O -4.310655 -3.949296 -0.061607
N -1.091044 -0.190182 -0.464712
N -3.227327 0.597656 -0.066121
N -2.635145 -1.630415 0.737234
N -0.139841 1.839830 -1.575257
N -1.804817 3.629078 -1.815895
N -4.032877 3.415419 -1.049115
C 2.194970 -0.309679 -0.224328
C 1.914351 -1.241154 0.973272
C 1.230277 -0.845093 -1.293958
C -0.024284 -1.168181 -0.441551
C 2.525889 -0.684039 2.260747
C -1.134377 1.123503 -0.982737
C -2.373264 -0.429940 0.101576
C -2.464039 1.563220 -0.754594
C -2.783829 2.874413 -1.205486
C -3.980608 -1.891439 1.296802
C -0.563847 3.085549 -1.963944
C -4.259553 -3.402839 1.294709
H 1.946698 0.742283 0.012687
H 2.345205 -2.240300 0.762400
H 1.037415 -0.107865 -2.089550
H -0.419102 -2.154071 -0.745121
H 2.186194 0.345057 2.475252
H 2.376554 -1.332610 3.136509
H 2.635838 -2.023334 -2.104057
H -1.841113 -2.056620 1.229771
H 4.910201 2.327736 0.468265
H -4.710321 -1.367127 0.658883
H -4.075814 -1.481606 2.324318
H 0.183629 3.718939 -2.449992
H -5.252160 -3.599068 1.732423
H -3.498328 -3.935461 1.908954
H -4.767069 2.874990 -0.597476
H -4.208505 4.358414 -1.388834
H -3.525046 -3.599034 -0.557383


