%chk=000193164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193164

0 1
P -3.160070 1.912523 0.508582
O -4.058106 -1.025861 -1.724477
O -4.648333 1.260486 0.862513
O -2.989502 1.706680 -1.112511
O -5.121185 -2.159905 1.085241
O -3.604066 3.488254 0.601517
O -2.041607 1.470614 1.337710
O 3.850083 -2.228628 2.016631
O 6.147767 1.176025 -0.186498
O 3.962534 0.977068 -0.768551
N -2.021926 -1.318185 -0.571854
N 0.023651 -0.448644 -1.161208
N -1.337594 -2.487535 1.539970
N 1.046560 -2.207381 2.018571
N 2.530787 -0.945762 0.586374
N 6.056888 -0.779318 1.508561
N 7.008443 -1.031878 2.041947
C -5.025001 0.049540 0.218090
C -4.865756 0.114265 -1.322400
C -4.182247 -1.165718 0.687089
C -3.458251 -1.671676 -0.596795
C -4.203075 1.400498 -1.829487
C -1.117583 -1.726927 0.419253
C -1.262732 -0.527430 -1.504048
C 0.159121 -1.182149 0.032665
C 1.259430 -1.459777 0.896461
C -0.216334 -2.679590 2.284271
C 3.733240 -1.309383 1.237796
C 4.928022 -0.482717 0.879228
C 4.898097 0.601442 -0.097345
C 6.311033 2.316596 -1.097645
C 5.711595 3.558387 -0.477809
H -6.091814 -0.066302 0.542194
H -5.829968 -0.066374 -1.853681
H -3.493771 -0.927824 1.532598
H -3.589753 -2.766842 -0.787107
H -3.824476 1.269053 -2.868020
H -4.894332 2.267061 -1.799002
H -4.703103 -2.765830 1.746828
H -1.743814 -0.063671 -2.357769
H -3.229352 4.025362 1.350208
H -0.316369 -3.276447 3.207407
H 2.549782 -0.233962 -0.186445
H 7.413467 2.349380 -1.176843
H 5.849378 2.053866 -2.066458
H 5.946809 4.453896 -1.066380
H 4.613704 3.486277 -0.418982
H 6.079631 3.724445 0.542911


%chk=000193164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193164

0 1
P -5.350202 1.971648 1.207001
O -3.486183 -0.075355 -1.849588
O -6.023338 0.432674 0.753824
O -4.484536 2.362676 -0.248428
O -3.955202 -2.044215 1.212789
O -6.818591 2.859740 1.146701
O -4.494021 2.153445 2.521964
O 3.985518 -2.006777 2.656371
O 6.655705 0.646893 -0.277559
O 4.382044 0.531281 -0.833477
N -1.567456 -0.839314 -0.682249
N 0.603148 -0.206416 -1.080964
N -1.227082 -2.081009 1.451979
N 1.124128 -2.086781 2.147111
N 2.833824 -0.970287 0.848475
N 6.325036 -0.908651 1.808999
N 7.249750 -1.181012 2.473191
C -5.207837 -0.421525 -0.137220
C -4.904536 0.256467 -1.517513
C -3.834855 -0.848077 0.426879
C -3.009198 -1.059114 -0.877441
C -5.063828 1.780503 -1.491304
C -0.811652 -1.353548 0.373282
C -0.665675 -0.164126 -1.525744
C 0.528731 -0.952738 0.108223
C 1.511155 -1.353044 1.059994
C -0.193431 -2.407893 2.288953
C 3.960449 -1.283707 1.628949
C 5.225033 -0.642202 1.100737
C 5.350989 0.221022 -0.080485
C 6.897155 1.560931 -1.445689
C 6.600573 3.013199 -1.068495
H -5.834079 -1.320026 -0.248970
H -5.542460 -0.159429 -2.320640
H -3.374314 -0.006327 0.991221
H -3.176553 -2.091562 -1.251134
H -4.480649 2.240090 -2.304046
H -6.129966 2.062265 -1.580584
H -3.013659 -2.253888 1.548559
H -1.006104 0.343366 -2.423294
H -6.904494 3.533629 1.868865
H -0.452428 -2.990394 3.176887
H 3.009664 -0.374064 0.011555
H 7.961834 1.395877 -1.673042
H 6.267956 1.220695 -2.286075
H 6.873001 3.673648 -1.912394
H 5.528138 3.155686 -0.855698
H 7.188401 3.321750 -0.187175


