%chk=000238356.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238356

0 1
O 3.120412 -0.324642 -1.395088
N -2.876222 -0.891562 -0.654029
C 1.718639 -1.243688 0.337543
C 0.265641 -0.802121 0.628157
C 2.502871 -0.114325 -0.376753
C 2.483539 1.280465 0.268944
C 1.733994 -2.498536 -0.543942
C 2.446058 -1.533132 1.661652
C -0.495367 -0.343243 -0.622542
C 1.873570 2.266124 -0.730214
C 3.914459 1.665088 0.648386
C -1.919536 0.004576 -0.282180
C -2.239707 1.205282 0.386924
C -3.576756 1.479079 0.676357
C -4.173120 -0.608229 -0.364375
C -4.565727 0.564242 0.299411
H 0.259146 0.003864 1.388079
H -0.277015 -1.652792 1.091471
H 1.855216 1.269657 1.192995
H 1.251319 -3.347297 -0.050781
H 2.760770 -2.790918 -0.801145
H 1.216198 -2.327120 -1.496722
H 2.457380 -0.668239 2.332408
H 3.486759 -1.832779 1.486149
H 1.965030 -2.358131 2.200850
H -0.469408 -1.145756 -1.395749
H 0.003892 0.538482 -1.088777
H 0.856630 1.959548 -1.022964
H 1.816781 3.276254 -0.312723
H 2.475002 2.321648 -1.649060
H 3.959155 2.683366 1.049760
H 4.579289 1.628701 -0.227113
H 4.330251 0.989278 1.403275
H -1.455264 1.901791 0.668809
H -3.849501 2.399843 1.191788
H -4.907682 -1.357059 -0.683220
H -5.613396 0.754982 0.512721


%chk=000238356-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238356

0 1
O 2.895578 0.007329 -1.554751
N -2.793001 -1.061193 0.241013
C 1.709750 -1.196247 0.229166
C 0.226726 -0.782124 0.528484
C 2.454925 0.022662 -0.371862
C 2.666448 1.289309 0.488698
C 1.766169 -2.391859 -0.751206
C 2.379481 -1.607967 1.574929
C -0.625397 -0.425716 -0.719047
C 2.098782 2.530174 -0.246916
C 4.187782 1.459603 0.755657
C -2.046534 -0.060130 -0.331507
C -2.575754 1.240323 -0.535927
C -3.904767 1.519381 -0.144869
C -4.072987 -0.777930 0.614756
C -4.674240 0.490908 0.444457
H 0.214307 0.073017 1.233833
H -0.268110 -1.625223 1.047912
H 2.146368 1.176223 1.457771
H 1.122512 -3.213196 -0.385577
H 2.799570 -2.770255 -0.843980
H 1.441328 -2.104561 -1.764081
H 2.332784 -0.805746 2.333062
H 3.439449 -1.883630 1.425431
H 1.855281 -2.489596 1.987913
H -0.661771 -1.302999 -1.390434
H -0.162523 0.404553 -1.283748
H 1.001748 2.464618 -0.372171
H 2.322239 3.449568 0.324432
H 2.556266 2.615864 -1.248121
H 4.372008 2.379636 1.339799
H 4.729523 1.537045 -0.203604
H 4.604633 0.605692 1.320149
H -1.953917 2.014004 -0.999214
H -4.330720 2.516953 -0.297995
H -4.632652 -1.606988 1.064449
H -5.707984 0.661201 0.761401


