%chk=000201093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201093

0 1
P -2.027455 -0.296019 -0.085101
O -1.237032 -1.230108 -0.940207
N -2.137452 -0.618818 1.643782
N -3.748749 -0.350795 -0.548975
N -1.823717 1.474565 -0.171083
N 2.286436 -0.458480 0.708076
N 0.204765 0.614832 0.350814
N -0.068686 3.059987 0.467640
C -2.460601 -2.010239 2.088034
C -1.076494 -1.437336 2.305253
C -4.120174 0.036863 -1.944967
C -4.157863 -1.414472 -1.516669
C -0.528665 1.786098 0.248332
C 3.770395 -0.369606 0.850757
C 1.867733 -1.628600 -0.128351
C 4.481523 -0.313979 -0.510917
C 2.555280 -1.617742 -1.502792
C 4.080113 -1.513396 -1.380271
C 1.554439 0.730616 0.597460
C 2.099527 2.029104 0.845683
C 1.259730 3.137526 0.779581
H -2.622693 -2.828696 1.381478
H -3.174597 -2.064422 2.918836
H -0.776484 -1.073603 3.294950
H -0.211688 -1.822009 1.752138
H -3.380072 0.383254 -2.672887
H -5.049960 0.611491 -2.025796
H -5.113735 -1.898415 -1.290469
H -3.430573 -2.128837 -1.925300
H -2.588527 2.135058 0.032895
H 4.090316 -1.274355 1.417421
H 4.043673 0.507021 1.477025
H 0.752834 -1.629823 -0.277499
H 2.126135 -2.546320 0.439892
H 5.576762 -0.295660 -0.362807
H 4.225323 0.629802 -1.031851
H 2.159919 -0.773386 -2.103456
H 2.272785 -2.531791 -2.059042
H 4.533145 -1.418800 -2.385236
H 4.488783 -2.446765 -0.947756
H 3.151047 2.149260 1.078694
H 1.636654 4.151392 0.968991


%chk=000201093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201093

0 1
P -2.412803 -0.309083 -0.193478
O -1.667943 -1.095651 -1.380786
N -2.649225 -1.241194 1.322164
N -4.086841 0.229017 -0.539563
N -1.833233 1.277203 0.272783
N 2.636079 -0.106594 0.366113
N 0.406728 0.617717 0.412422
N -0.246390 2.961401 0.661665
C -2.071233 -2.646823 1.361372
C -1.444691 -1.547772 2.197236
C -4.550424 0.129286 -1.985165
C -5.099374 -0.822017 -0.939068
C -0.499038 1.629615 0.455613
C 4.093116 0.020301 0.565718
C 2.178004 -1.468785 -0.005576
C 4.874331 -0.452069 -0.684210
C 2.929311 -1.977991 -1.257400
C 4.461718 -1.891298 -1.071443
C 1.740684 0.936312 0.511921
C 2.117253 2.303763 0.750152
C 1.083841 3.251440 0.823242
H -1.526124 -2.984215 0.470626
H -2.733823 -3.382283 1.828184
H -1.660107 -1.489710 3.268649
H -0.473727 -1.152466 1.877263
H -3.835208 -0.276949 -2.711347
H -5.147899 0.983135 -2.317118
H -6.094270 -0.661773 -0.513593
H -4.773654 -1.868273 -0.991448
H -2.527576 2.024069 0.358968
H 4.386794 -0.610064 1.433587
H 4.355014 1.059180 0.815239
H 1.094073 -1.421858 -0.190044
H 2.367183 -2.155051 0.848752
H 5.959783 -0.398309 -0.473205
H 4.663082 0.236140 -1.525695
H 2.621146 -1.369756 -2.129387
H 2.617376 -3.020182 -1.459536
H 4.983596 -2.205915 -1.994446
H 4.776897 -2.590927 -0.268917
H 3.153048 2.626434 0.859244
H 1.316624 4.306391 1.006814


