%chk=000207678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207678

0 1
O -0.104971 1.121986 0.042108
O 0.407599 -2.801073 -0.367003
N -0.862890 -1.338168 0.839547
N 5.128268 -0.849609 0.167631
C -3.088622 -1.825783 -0.223757
C -2.046496 -2.230645 0.830084
C -3.835362 -0.537080 0.138154
C 1.396338 -0.682335 0.102868
C 0.283352 -1.688584 0.129349
C -4.948239 -0.229551 -0.860331
C 1.215936 0.716197 0.038147
C 2.697571 -1.190085 0.105485
C 3.808420 -0.323791 0.051899
C 2.310698 1.588860 -0.020834
C 3.604293 1.068752 -0.011931
C -0.391537 2.546902 -0.123032
C -1.886723 2.598097 -0.151569
C -2.574254 3.733819 -0.216806
H -2.597351 -1.715625 -1.211908
H -3.810877 -2.657022 -0.347875
H -1.702791 -3.276377 0.629256
H -2.489123 -2.224359 1.850286
H -4.257814 -0.615934 1.158592
H -3.118103 0.317843 0.167649
H -1.028700 -0.368702 1.111579
H -4.557222 -0.116319 -1.878465
H -5.469473 0.698834 -0.602561
H -5.698323 -1.028680 -0.888053
H 2.837622 -2.275415 0.144163
H 2.172552 2.665025 -0.068459
H 4.456337 1.746233 -0.044940
H 0.041168 3.090450 0.736823
H 0.060375 2.890000 -1.072449
H 5.847531 -0.285389 -0.265819
H 5.221728 -1.819167 -0.110311
H -2.374438 1.606318 -0.118784
H -3.655490 3.765250 -0.242502
H -2.125289 4.716227 -0.251431


%chk=000207678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207678

0 1
O -0.115315 1.413078 0.291848
O 0.403344 -2.810949 0.651060
N -1.055055 -1.013732 0.895644
N 4.947565 -1.033718 -0.475726
C -3.172676 -2.098809 0.062180
C -2.206883 -1.855151 1.248400
C -3.814561 -0.808070 -0.496137
C 1.292009 -0.583083 0.246828
C 0.181081 -1.553732 0.606996
C -4.818410 -1.087663 -1.635623
C 1.168485 0.832315 0.092317
C 2.560788 -1.171567 0.050065
C 3.709500 -0.411312 -0.289496
C 2.304082 1.604338 -0.242066
C 3.561003 0.995508 -0.431098
C -0.283014 2.854308 0.013176
C -1.752538 3.166604 0.115052
C -2.263921 4.143044 0.903518
H -2.621909 -2.622330 -0.743284
H -3.972829 -2.787544 0.404294
H -1.807489 -2.819770 1.606445
H -2.754143 -1.370348 2.081203
H -4.327790 -0.269040 0.327867
H -3.014376 -0.135190 -0.866522
H -1.152850 0.006180 0.821365
H -4.323471 -1.604574 -2.479131
H -5.263758 -0.153445 -2.025319
H -5.644007 -1.735379 -1.285000
H 2.610074 -2.260323 0.171586
H 2.229933 2.689947 -0.353052
H 4.427206 1.616941 -0.688588
H 0.305800 3.450974 0.737938
H 0.091303 3.060397 -1.012245
H 5.773160 -0.495253 -0.717879
H 5.039520 -2.039510 -0.372526
H -2.412586 2.562426 -0.522949
H -3.336577 4.363809 0.918258
H -1.624996 4.751723 1.555400


