%chk=000186046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186046

0 1
P -2.534457 -0.027609 0.538872
O -1.354202 -0.716284 1.153729
O 2.415083 -2.299303 1.700196
N -3.774948 0.498965 1.676419
N -3.414578 -1.055522 -0.593719
N -2.173533 1.454512 -0.325345
N 3.613070 1.733421 -1.871438
C -4.973779 -0.348955 1.962217
C -3.878458 -0.199871 2.995047
C -3.506550 -0.723016 -2.047663
C -2.641043 -1.872646 -1.577688
C -0.731209 1.841903 -0.308353
C -0.103053 1.485362 -1.675063
C 1.375161 1.388685 -1.572923
C 2.087749 0.433883 -0.758112
C 2.324047 2.161455 -2.233062
C 3.488703 0.668594 -0.957464
C 1.667280 -0.576406 0.125052
C 4.474552 -0.091423 -0.289957
C 2.650416 -1.298091 0.779800
C 4.050646 -1.073896 0.578947
C 1.027925 -2.632307 1.972406
H -5.143220 -1.303388 1.451166
H -5.910489 0.210766 2.066980
H -4.016741 0.465585 3.855428
H -3.226783 -1.041937 3.254817
H -3.055670 0.185293 -2.463646
H -4.486405 -0.918964 -2.497924
H -2.988787 -2.906942 -1.686887
H -1.548855 -1.823463 -1.644562
H -2.792874 2.260757 -0.125883
H -0.151972 1.344985 0.510937
H -0.630393 2.933058 -0.126263
H -0.503465 0.514862 -2.041300
H -0.408728 2.230821 -2.434480
H 2.173811 2.971053 -2.924055
H 4.472255 2.117284 -2.204798
H 0.602000 -0.754485 0.294054
H 5.530141 0.099108 -0.457780
H 4.753445 -1.694011 1.130997
H 0.432187 -1.732539 2.188536
H 0.610035 -3.167478 1.115766
H 1.114985 -3.277020 2.851798


%chk=000186046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186046

0 1
P -2.728440 -0.127120 0.461303
O -1.531886 -0.923295 1.183821
O 2.579721 -2.479698 1.654488
N -4.150671 0.395314 1.391863
N -3.572628 -1.151705 -0.742730
N -2.193916 1.393367 -0.178592
N 3.648274 1.820201 -1.752283
C -4.844776 -0.591255 2.297849
C -4.016877 0.535716 2.894622
C -3.791012 -0.669897 -2.160061
C -2.782739 -1.769364 -1.870812
C -0.759779 1.743932 -0.249510
C -0.082463 1.388152 -1.606422
C 1.421418 1.360397 -1.500277
C 2.185536 0.412183 -0.703113
C 2.349012 2.199012 -2.121850
C 3.575414 0.723262 -0.879241
C 1.797636 -0.667955 0.139384
C 4.591712 -0.019638 -0.234416
C 2.816142 -1.400119 0.782146
C 4.198995 -1.082196 0.596483
C 1.177903 -2.864337 1.864122
H -4.437109 -1.607150 2.360152
H -5.936296 -0.521811 2.282006
H -4.511666 1.418147 3.310312
H -3.053674 0.267032 3.345996
H -3.387545 0.315169 -2.430737
H -4.772750 -0.914670 -2.575626
H -3.032959 -2.815025 -2.072080
H -1.716563 -1.524610 -1.963152
H -2.895904 2.122254 -0.313934
H -0.233923 1.209210 0.560853
H -0.651408 2.825281 -0.046460
H -0.447174 0.382606 -1.903719
H -0.415628 2.091365 -2.393148
H 2.178870 3.031846 -2.802564
H 4.505466 2.266027 -2.069432
H 0.739665 -0.902169 0.300429
H 5.653701 0.214948 -0.367824
H 4.939698 -1.690644 1.124328
H 0.573727 -2.026864 2.259165
H 0.714283 -3.212810 0.920835
H 1.213910 -3.688294 2.592624


