%chk=000229495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229495

0 1
P -0.347838 -0.175624 -0.198383
O -1.427821 -0.703888 -1.094935
N -0.759611 -0.199507 1.514240
N 1.146392 -1.084372 -0.305324
N 0.042956 1.498277 -0.544074
N -5.566091 0.623864 1.938365
N -0.436865 -4.496735 3.805558
N 0.819030 -4.940802 -3.272615
N 5.383955 1.225483 -0.023828
N 2.785887 4.705029 1.839160
N -2.447843 3.484161 -4.177219
C -2.113112 0.335308 1.817544
C -0.333210 -1.355913 2.336415
C 0.986856 -2.454854 -0.856938
C 2.395854 -0.387087 -0.710692
C 0.680732 2.267416 0.562465
C -1.037955 2.247716 -1.258733
C -3.304007 -0.444604 1.214659
C -1.022604 -2.702231 2.010236
C 0.566781 -2.520524 -2.342641
C 3.194520 -0.056584 0.572216
C 1.675241 3.283824 -0.042720
C -1.125443 1.771064 -2.724627
C -4.562022 0.149598 1.619241
C -0.697196 -3.700627 3.010088
C 0.708772 -3.867794 -2.858654
C 4.415340 0.655571 0.242979
C 2.295566 4.075074 1.004450
C -1.862887 2.726409 -3.530376
H -2.230731 0.374138 2.929233
H -2.156762 1.400169 1.483818
H 0.774968 -1.471754 2.244717
H -0.521805 -1.101181 3.409023
H 1.950708 -3.001418 -0.712637
H 0.231974 -3.007349 -0.230886
H 3.016239 -1.040467 -1.369178
H 2.218516 0.542299 -1.301200
H -0.061335 2.801734 1.200597
H 1.244956 1.580521 1.248273
H -2.037896 2.157124 -0.774277
H -0.788445 3.336683 -1.241167
H -3.245371 -0.484124 0.089683
H -3.267284 -1.519507 1.529538
H -2.135525 -2.569638 1.950736
H -0.718468 -3.077857 0.995464
H -0.502689 -2.181721 -2.460401
H 1.163610 -1.812766 -2.961523
H 2.573843 0.555963 1.277137
H 3.429273 -0.994280 1.130731
H 2.455800 2.756270 -0.642238
H 1.160697 3.953588 -0.773637
H -0.105319 1.622728 -3.151469
H -1.625230 0.763398 -2.779294


%chk=000229495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229495

0 1
P -0.634885 -0.067585 -0.405978
O -1.795547 -0.361452 -1.475062
N -1.149989 -0.479446 1.219600
N 0.849763 -0.988057 -0.603891
N -0.181944 1.633928 -0.471723
N -6.042304 -0.360047 1.865097
N 1.016133 -3.201702 4.694954
N -0.038938 -5.494186 -2.410842
N 5.416463 0.730200 -1.163156
N 2.533693 4.307600 2.642764
N -1.104316 4.330060 -4.503406
C -2.534238 -0.075095 1.566003
C -0.266427 -0.966471 2.291008
C 0.673527 -2.451473 -0.776418
C 2.078838 -0.393771 -1.159976
C 0.363927 2.313167 0.721202
C -0.843043 2.468185 -1.505639
C -3.606303 -1.099986 1.079118
C -0.744023 -2.325144 2.896946
C 0.204607 -2.849176 -2.215285
C 3.275081 -0.501130 -0.163283
C 1.612945 3.192892 0.404065
C 0.023723 2.625363 -2.793315
C -4.957401 -0.703916 1.506174
C 0.214984 -2.822539 3.896385
C 0.068438 -4.307676 -2.341204
C 4.472018 0.167339 -0.699614
C 2.134580 3.818982 1.630411
C -0.590413 3.562309 -3.748651
H -2.595106 0.052075 2.662484
H -2.769536 0.908703 1.115283
H 0.745131 -1.099679 1.870301
H -0.198171 -0.223607 3.112828
H 1.626530 -2.955865 -0.534812
H -0.078360 -2.813810 -0.053250
H 2.356037 -0.888481 -2.111027
H 1.888854 0.668634 -1.388350
H -0.407640 2.959317 1.189139
H 0.645376 1.554683 1.472362
H -1.806880 2.009082 -1.788445
H -1.053365 3.462296 -1.068550
H -3.560164 -1.154912 -0.024754
H -3.382715 -2.107605 1.474864
H -1.732242 -2.207513 3.379719
H -0.857736 -3.078681 2.095521
H -0.765444 -2.358142 -2.423012
H 0.927680 -2.492022 -2.972461
H 3.000860 -0.035548 0.802113
H 3.513932 -1.560567 0.045529
H 2.411697 2.584662 -0.059724
H 1.347861 3.990818 -0.314231
H 1.037955 2.987143 -2.540680
H 0.133597 1.638045 -3.280227


