%chk=000271576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271576

0 1
O 3.202167 -1.796756 -1.748391
O -4.813960 -0.128982 0.018007
O -3.637803 -2.060023 -0.040458
N 4.957899 -1.170515 -0.473712
N 1.711578 0.203957 -0.390794
N 0.961621 1.239236 0.086555
N -2.659873 1.466280 0.060015
C 5.356460 1.256862 -0.419413
C 3.850903 1.542263 -0.355665
C 5.678023 -0.093892 0.240630
C 2.999316 0.313577 -0.561154
C 3.676249 -0.964964 -0.998451
C -0.447750 1.023637 0.005467
C -2.504194 0.076299 0.003202
C -1.131006 -0.220963 -0.032139
C -1.409700 2.061973 0.058312
C -3.631444 -0.853586 -0.011342
C -6.060505 -0.907947 0.006642
C -7.148895 0.142639 0.044843
H 5.697884 1.250505 -1.474482
H 5.919849 2.068262 0.077925
H 3.585232 2.307789 -1.114373
H 3.608162 1.983214 0.636553
H 6.769770 -0.295321 0.222275
H 5.362597 -0.087845 1.310325
H 5.482995 -1.987563 -0.772151
H 1.254180 2.207880 -0.096212
H -0.679502 -1.198846 -0.086145
H -1.261055 3.123866 0.102648
H -3.549055 1.934333 0.097765
H -6.063955 -1.516453 -0.914548
H -6.049199 -1.567186 0.892057
H -8.143680 -0.320232 0.036792
H -7.075313 0.766175 0.945924
H -7.085794 0.818726 -0.818507


%chk=000271576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271576

0 1
O 3.292920 -2.266909 -0.922509
O -4.884139 -0.026978 -0.016172
O -3.743110 -2.043431 -0.416772
N 5.209981 -1.058232 -0.441325
N 1.743292 -0.023119 -0.321762
N 0.967945 1.070647 -0.088570
N -2.622391 1.413556 0.141203
C 5.269526 1.390184 -0.590346
C 3.781467 1.448935 -0.180158
C 5.932463 0.140001 0.014024
C 3.062975 0.114570 -0.370321
C 3.823916 -1.160558 -0.602381
C -0.431339 0.922091 -0.050474
C -2.529845 0.040709 -0.107967
C -1.165658 -0.290653 -0.231020
C -1.353193 1.969280 0.178694
C -3.713535 -0.807644 -0.203211
C -6.171644 -0.774207 -0.087863
C -7.290279 0.246891 0.097707
H 5.354564 1.342099 -1.691629
H 5.793890 2.301171 -0.247877
H 3.277262 2.240489 -0.777531
H 3.703368 1.763272 0.884777
H 6.985316 0.064346 -0.313503
H 5.935012 0.213932 1.123600
H 5.715452 -1.938465 -0.565670
H 1.366920 2.006434 0.057535
H -0.751143 -1.275506 -0.427626
H -1.190271 3.029984 0.358391
H -3.512023 1.893542 0.268654
H -6.225010 -1.285651 -1.066012
H -6.170653 -1.547200 0.702036
H -8.270699 -0.261447 0.053390
H -7.207198 0.751937 1.075635
H -7.261938 1.012328 -0.696949


