%chk=000100356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000100356

0 1
O 1.463885 -2.824640 0.763675
O 0.844975 -2.792351 -1.313008
O -2.480365 2.544649 0.812315
O -3.135356 0.959084 -0.501499
N -1.605139 -1.474064 0.209204
N 2.658273 2.186311 -0.034294
N 3.110058 -0.043528 -0.308247
N 1.029671 -2.282059 -0.225584
N -2.287602 1.532017 0.159990
C -0.644469 -0.411507 0.055284
C 0.685669 -0.831100 -0.111992
C 1.725709 0.112299 -0.147733
C 1.416214 1.516776 0.020141
C -0.908331 0.996629 0.146799
C 0.104386 1.958963 0.171542
C -2.173005 -1.924029 -1.095988
C -2.650213 -1.259717 1.247193
C 3.639755 1.194702 -0.234047
H -0.134813 3.021263 0.293563
H 2.789393 3.177832 0.057174
H -2.828682 -1.174420 -1.572050
H -2.754068 -2.846364 -0.927557
H -1.351329 -2.180346 -1.792020
H -2.246061 -0.714356 2.113477
H -2.946750 -2.262940 1.610477
H -3.562689 -0.752025 0.890286
H 4.698783 1.425320 -0.316902


%chk=000100356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100356

0 1
O 0.513266 -2.986735 0.470307
O 1.624280 -2.534889 -1.473985
O -2.320530 2.872543 1.009746
O -3.208344 1.261306 -0.335784
N -1.813335 -1.195045 0.040466
N 2.722516 2.119861 0.031850
N 3.042528 -0.062193 -0.576745
N 0.915731 -2.177674 -0.459824
N -2.225613 1.761854 0.342241
C -0.744805 -0.309529 -0.002515
C 0.587421 -0.746168 -0.314484
C 1.674535 0.160593 -0.329554
C 1.449683 1.525519 0.064205
C -0.901850 1.107825 0.289584
C 0.182076 2.009384 0.386801
C -1.948824 -2.335095 -0.881213
C -2.879605 -1.094951 1.048360
C 3.623482 1.129257 -0.350527
H -0.026981 3.048914 0.650896
H 2.943295 3.091144 0.245582
H -2.996929 -2.377201 -1.230585
H -1.688458 -3.294548 -0.394138
H -1.303960 -2.201353 -1.764485
H -2.578476 -0.424739 1.869838
H -3.051083 -2.101230 1.474931
H -3.822381 -0.713243 0.613140
H 4.690260 1.318790 -0.453909


