%chk=000218457.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218457

0 1
O -3.405818 0.715397 1.866635
N 2.192622 -1.029639 0.627412
N 1.938610 -2.121121 1.419498
N -1.451227 -1.104615 0.700792
N -1.989373 -0.468496 -0.235472
C 1.004224 -0.431843 0.170895
C 0.953405 0.787043 -0.634474
C -0.043098 -1.208138 0.717758
C 3.557951 -0.647837 0.348421
C 0.594387 -2.245633 1.494267
C 1.569353 1.963141 -0.170947
C 0.272788 0.788395 -1.862144
C 4.522574 -0.759601 1.364645
C 3.903848 -0.186393 -0.932627
C 1.508507 3.127480 -0.938360
C 0.218288 1.959044 -2.624213
C 5.840541 -0.388946 1.090369
C 5.226567 0.185089 -1.182785
C 0.835628 3.126344 -2.165730
C 6.193699 0.086833 -0.176826
C -3.427328 -0.355855 -0.223403
C -4.168052 0.290043 0.806668
C -4.106758 -0.802268 -1.365124
C -5.551533 0.471399 0.685381
C -5.489635 -0.625646 -1.480516
C -6.203679 0.005615 -0.460312
C -4.076272 1.402629 2.951380
H 0.098577 -3.022261 2.057994
H 2.087045 1.965510 0.787698
H -0.228201 -0.117521 -2.207810
H 4.244604 -1.143604 2.348504
H 3.155364 -0.118316 -1.723096
H 1.982197 4.039280 -0.578434
H -0.315512 1.960719 -3.573408
H 6.596488 -0.473302 1.871219
H 5.504157 0.549319 -2.171994
H 0.788330 4.037143 -2.760380
H 7.223111 0.376747 -0.381689
H -3.548531 -1.293182 -2.163960
H -6.122191 0.961375 1.467503
H -6.005376 -0.982924 -2.368774
H -7.281206 0.140128 -0.553886
H -4.806033 0.741923 3.427630
H -4.530608 2.330241 2.592864
H -3.235333 1.610303 3.627430


%chk=000218457-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218457

0 1
O -3.909546 -0.543121 2.279719
N 2.222807 -0.419433 0.968107
N 1.988170 -1.048969 2.211527
N -1.411390 -0.299195 1.218890
N -1.950084 0.083701 0.084086
C 1.041963 -0.025195 0.328476
C 1.036265 0.828295 -0.882226
C -0.011745 -0.442297 1.206368
C 3.589353 -0.346669 0.523865
C 0.643153 -1.042143 2.334000
C 1.821013 2.014990 -0.911095
C 0.261952 0.490846 -2.023294
C 4.604267 -0.182277 1.497541
C 3.923877 -0.490935 -0.844460
C 1.833819 2.839427 -2.055575
C 0.289410 1.308522 -3.173267
C 5.954719 -0.135931 1.093494
C 5.278486 -0.436657 -1.235765
C 1.073249 2.486093 -3.194654
C 6.298742 -0.255426 -0.273482
C -3.360222 0.273367 0.055272
C -4.348549 -0.010016 1.071076
C -3.810991 0.803687 -1.187827
C -5.717476 0.249878 0.797900
C -5.167863 1.063682 -1.447539
C -6.123083 0.782543 -0.444329
C -4.918615 -0.871335 3.295789
H 0.163681 -1.468403 3.212835
H 2.410243 2.295719 -0.031330
H -0.363752 -0.404628 -1.995577
H 4.321704 -0.110053 2.550869
H 3.142061 -0.652215 -1.591018
H 2.435067 3.755190 -2.057740
H -0.304563 1.028755 -4.050572
H 6.738305 -0.007741 1.848190
H 5.535121 -0.547874 -2.294814
H 1.087555 3.123547 -4.085933
H 7.348458 -0.216854 -0.583937
H -3.036522 1.011013 -1.933656
H -6.476102 0.039521 1.557350
H -5.477859 1.477871 -2.411882
H -7.186625 0.976043 -0.623563
H -5.635638 -1.628903 2.924499
H -5.465451 0.032188 3.627801
H -4.340261 -1.284609 4.134480


