%chk=000258112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258112

0 1
O 2.146110 1.991970 0.003219
O 2.534240 -2.201538 -0.005269
N 0.737514 2.031593 0.003841
N 3.835116 0.331334 -0.001545
N 0.275615 -2.362521 -0.005855
C 0.271175 0.777444 0.001200
C -1.164534 0.455065 0.000956
C 1.368356 -0.165818 -0.001274
C 2.520052 0.641272 0.000037
C -1.842514 0.295526 1.218652
C -1.842776 0.298831 -1.217040
C 1.446216 -1.616097 -0.004174
C -3.201545 -0.029568 1.212757
C -3.201794 -0.026275 -1.211743
C -3.880359 -0.191860 0.000361
H -1.311428 0.432075 2.161052
H -1.311873 0.437935 -2.159171
H -3.733508 -0.150928 2.155878
H -3.733967 -0.145075 -2.155071
H -4.940648 -0.442231 0.000125
H 4.094815 -0.663615 -0.003208
H 4.553558 1.034283 0.000450
H -0.642142 -1.953298 -0.004695
H 0.331121 -3.369103 -0.007583


%chk=000258112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258112

0 1
O 2.183925 1.998407 0.023147
O 2.663888 -2.185266 -0.026403
N 0.669273 2.070750 0.024251
N 3.845857 0.295354 0.004302
N 0.348626 -2.372066 -0.030115
C 0.287304 0.770691 0.008662
C -1.171469 0.452141 0.006877
C 1.393608 -0.156294 -0.002717
C 2.543526 0.663310 0.007505
C -1.875968 0.315902 1.231227
C -1.864465 0.275974 -1.219074
C 1.506238 -1.619436 -0.019466
C -3.254528 0.004191 1.228307
C -3.243059 -0.035689 -1.219029
C -3.940338 -0.173722 0.003986
H -1.344281 0.463298 2.177262
H -1.324161 0.392886 -2.164529
H -3.791591 -0.093342 2.178029
H -3.771263 -0.163773 -2.170099
H -5.009607 -0.412657 0.002850
H 3.990945 -0.727291 -0.006297
H 4.600599 0.976915 0.013072
H -0.576817 -1.944094 -0.027880
H 0.440555 -3.386790 -0.041969


