%chk=000218371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218371

0 1
O 0.543038 0.735528 0.342782
O -1.078186 -2.515802 1.397833
O -3.865816 2.613127 0.022635
O -1.383054 3.500044 -1.496724
N 2.898751 -1.668696 -0.656147
N 2.551304 -0.449696 0.026935
N -0.786509 -1.766015 -0.750924
N -2.474877 0.752264 0.046756
N -0.617930 3.178221 0.639423
C 1.657579 -2.377470 -0.854121
C 0.601754 -1.534184 -0.598495
C 1.120547 -0.264267 -0.041582
C 3.499124 0.641550 0.022658
C 4.010306 -2.411232 -0.000670
C 1.642192 -3.762207 -1.353639
C 3.350827 1.610712 1.032047
C 4.531123 0.734329 -0.924641
C -1.569493 -2.013042 0.410449
C -3.003929 -1.639056 0.255904
C -3.439337 -0.298199 0.123717
C 4.257564 2.669825 1.090393
C 5.431005 1.799950 -0.842364
C 5.299574 2.764782 0.161049
C -3.950656 -2.674150 0.322882
C -4.822152 -0.028539 0.050379
C -5.312415 -2.399497 0.238137
C -5.741245 -1.071258 0.104006
C -2.765725 2.127803 -0.072733
C -1.505406 2.978617 -0.409470
H 4.880600 -1.742839 0.138589
H 4.320710 -3.233166 -0.668057
H 3.746001 -2.825108 0.987772
H 1.906256 -4.482737 -0.560083
H 2.334072 -3.919179 -2.195833
H 0.631373 -4.045724 -1.702803
H -1.210192 -1.362601 -1.588449
H 2.532785 1.535003 1.749912
H 4.622414 -0.000191 -1.723769
H 4.152096 3.426716 1.868157
H 6.235973 1.881219 -1.573045
H 6.003854 3.593235 0.216250
H -3.604404 -3.702764 0.448170
H -5.177885 1.005152 -0.042757
H -6.040142 -3.206577 0.284781
H -6.808730 -0.849983 0.044535
H -1.473423 0.488007 0.116194
H -0.551864 2.511261 1.398689
H 0.261448 3.636534 0.424772


%chk=000218371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218371

0 1
O 0.936025 1.333725 -0.081219
O -1.250876 -3.008957 0.848951
O -3.979221 2.463151 -0.969093
O -3.094142 4.044064 1.382395
N 2.897845 -1.628846 -0.166952
N 2.766936 -0.214195 -0.010351
N -0.720252 -1.101377 -0.392440
N -2.905501 0.760359 0.260824
N -1.075970 2.942255 0.978334
C 1.599091 -2.166383 -0.275904
C 0.681167 -1.120318 -0.238084
C 1.395583 0.140188 -0.085100
C 3.886079 0.661467 -0.185897
C 3.953105 -2.297608 0.629388
C 1.401988 -3.645318 -0.422306
C 3.912956 1.884741 0.527103
C 4.933990 0.325779 -1.080356
C -1.628557 -1.987024 0.198205
C -3.081806 -1.694428 -0.082882
C -3.663927 -0.388969 -0.148789
C 4.996214 2.769283 0.341941
C 6.021770 1.210686 -1.238572
C 6.057731 2.434558 -0.530830
C -3.902370 -2.828525 -0.314518
C -5.022148 -0.249314 -0.537131
C -5.253729 -2.687436 -0.680935
C -5.801929 -1.389884 -0.811629
C -3.165942 2.100161 -0.080998
C -2.430751 3.125133 0.821871
H 4.929434 -1.834099 0.423903
H 3.994134 -3.354143 0.324641
H 3.741727 -2.237073 1.714308
H 1.398408 -4.157570 0.557009
H 2.188782 -4.088877 -1.058304
H 0.420430 -3.844906 -0.874579
H -1.100901 -0.281076 -0.877758
H 3.089612 2.136243 1.199716
H 4.876123 -0.598852 -1.664538
H 5.013327 3.718914 0.887107
H 6.831359 0.951237 -1.929254
H 6.899324 3.122355 -0.663742
H -3.444929 -3.817283 -0.207944
H -5.455959 0.748745 -0.614305
H -5.869173 -3.572751 -0.869616
H -6.848573 -1.261075 -1.107615
H -2.211384 0.617055 1.002050
H -0.480590 2.287029 0.437855
H -0.595610 3.618859 1.575541


