%chk=000215858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215858

0 1
O 2.063088 0.602357 2.102509
N -1.067638 -1.870526 -0.309099
N -3.717070 -0.531729 -0.283080
C 3.021681 -0.259510 0.013820
C 0.898004 -1.208415 1.090389
C 0.043815 -0.862752 -0.161070
C 2.182087 0.012697 -1.264188
C 0.926433 -0.849050 -1.425869
C 2.023747 -0.178633 1.180766
C 3.652100 -1.676560 0.076084
C 1.509729 -2.618221 1.119409
C 2.638954 -2.824313 0.103806
C 4.180710 0.734227 0.053880
C -1.900210 -1.672192 -1.532949
C -1.988346 -1.896660 0.868278
C -2.827452 -0.438968 -1.481717
C -2.923885 -0.673502 0.976905
C 4.523824 1.462701 1.199035
C 4.970672 0.888308 -1.102236
C -4.844303 0.341392 -0.244805
C 5.617210 2.336146 1.187132
C 6.061248 1.758210 -1.113298
C 6.388954 2.488869 0.034063
C -5.408967 0.837411 -1.443527
C -5.492509 0.626697 0.979974
C -6.584482 1.584997 -1.407940
C -6.667152 1.376253 0.993408
C -7.220440 1.863850 -0.194508
H 0.248298 -1.098240 1.998089
H -0.367693 0.171752 -0.006512
H 2.824606 -0.133268 -2.156631
H 1.902093 1.086700 -1.269508
H 0.345550 -0.479164 -2.292966
H 1.217223 -1.895861 -1.677917
H 4.298267 -1.728812 0.976981
H 4.333473 -1.810140 -0.786558
H 0.707652 -3.362029 0.927630
H 1.884888 -2.821073 2.141977
H 3.164706 -3.773692 0.323504
H 2.195035 -2.952499 -0.910062
H -2.515608 -2.595757 -1.651239
H -1.251209 -1.615558 -2.430944
H -1.399388 -1.997446 1.805238
H -2.597510 -2.826411 0.776999
H -2.232548 0.499651 -1.481354
H -3.459962 -0.421706 -2.399532
H -3.626013 -0.829261 1.828805
H -2.342028 0.246306 1.203402
H 3.935111 1.369116 2.118227
H 4.733116 0.323857 -2.003401
H 5.863214 2.898499 2.086834
H 6.658944 1.867535 -2.016214
H 7.237916 3.168448 0.026495
H -4.940686 0.624889 -2.401973
H -5.089213 0.250829 1.917725
H -7.010636 1.957033 -2.339586
H -7.157947 1.585110 1.944020
H -8.133753 2.450106 -0.174900


%chk=000215858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215858

0 1
O 2.125198 0.833692 1.974726
N -1.085897 -1.906979 -0.164743
N -3.705960 -0.522755 -0.249273
C 3.018611 -0.258393 -0.075213
C 0.914717 -1.106205 1.131668
C -0.006907 -0.869668 -0.117189
C 2.128647 -0.046547 -1.352056
C 0.812433 -0.860500 -1.432322
C 2.044889 -0.077607 1.110007
C 3.616564 -1.719245 0.013815
C 1.509013 -2.541451 1.254140
C 2.593144 -2.866393 0.197954
C 4.200073 0.729370 -0.036563
C -1.939332 -1.912405 -1.379686
C -2.014109 -1.909567 0.995786
C -2.908495 -0.708610 -1.483760
C -2.989618 -0.706886 1.035782
C 4.963074 0.860839 1.155708
C 4.607772 1.480926 -1.167794
C -4.810466 0.365980 -0.286298
C 6.088986 1.706948 1.214898
C 5.739135 2.328560 -1.114930
C 6.486656 2.446108 0.076240
C -5.346959 0.840529 -1.525559
C -5.448981 0.815137 0.913346
C -6.477707 1.681801 -1.556235
C -6.578788 1.656542 0.866842
C -7.113229 2.097657 -0.364766
H 0.330844 -0.888430 2.045242
H -0.430269 0.158850 0.015972
H 2.733530 -0.277858 -2.250254
H 1.882358 1.032886 -1.402174
H 0.206897 -0.412105 -2.243776
H 1.012324 -1.902164 -1.733126
H 4.320800 -1.727707 0.868017
H 4.229864 -1.888075 -0.893123
H 0.682241 -3.271442 1.181684
H 1.949156 -2.633737 2.267630
H 3.142001 -3.775776 0.512745
H 2.117784 -3.121725 -0.763275
H -2.537946 -2.843538 -1.346684
H -1.320251 -1.956033 -2.289845
H -1.450693 -1.943639 1.942989
H -2.606835 -2.842642 0.932730
H -2.345869 0.221299 -1.736895
H -3.590908 -0.914720 -2.327120
H -3.724319 -0.915673 1.832772
H -2.449590 0.224530 1.325025
H 4.660910 0.315027 2.055462
H 4.049680 1.418063 -2.106789
H 6.652030 1.795705 2.150940
H 6.032521 2.896197 -2.005617
H 7.361684 3.104350 0.120037
H -4.886309 0.563843 -2.477252
H -5.070154 0.517160 1.894222
H -6.858936 2.020197 -2.527108
H -7.040079 1.974706 1.809316
H -7.989225 2.753576 -0.394469


