%chk=000225419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225419

0 1
O -4.500921 -2.292673 0.548192
N 5.367704 -0.391020 -0.190491
N -0.160649 0.839401 -0.171609
C -5.015445 0.476638 0.148467
C -3.623215 -0.119900 0.099977
C -5.124615 1.506297 1.278886
C -5.378810 1.090912 -1.208482
C -2.512767 0.611287 -0.084566
C -3.538016 -1.607709 0.273214
C -1.155822 0.010281 -0.117022
C -2.188853 -2.218114 0.079257
C -1.092603 -1.474962 -0.099484
C 3.992628 -0.024596 -0.113958
C 1.212226 0.467778 -0.153544
C 3.422819 0.836381 -1.084902
C 3.139778 -0.615632 0.848161
C 2.056939 1.085593 -1.099253
C 1.769392 -0.378297 0.823399
C 6.272908 0.570845 -0.879004
C 5.984304 -0.920958 1.057402
H -5.746164 -0.353252 0.363719
H -4.476081 2.373009 1.112974
H -4.847440 1.066145 2.243896
H -6.150991 1.879108 1.371167
H -5.300421 0.350802 -2.013172
H -4.726083 1.931147 -1.468090
H -6.408791 1.465130 -1.205990
H -2.551167 1.699253 -0.208216
H -2.173421 -3.309684 0.093177
H -0.107964 -1.923316 -0.259449
H 4.052649 1.307927 -1.837544
H 3.545659 -1.271870 1.615619
H 1.628263 1.758657 -1.843762
H 1.130507 -0.830335 1.582090
H 6.362857 1.541214 -0.366183
H 5.910686 0.748732 -1.907224
H 7.278491 0.127839 -0.968925
H 6.020223 -0.190379 1.880640
H 7.012257 -1.257965 0.844372
H 5.423247 -1.809016 1.398363


%chk=000225419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225419

0 1
O -4.595030 -2.206543 0.836912
N 5.433182 -0.097494 0.022803
N -0.139901 0.684162 -0.707821
C -5.038324 0.490016 -0.050660
C -3.651239 -0.140801 -0.024652
C -5.472830 0.868950 1.396346
C -5.156943 1.705857 -0.994155
C -2.498941 0.503662 -0.425410
C -3.554733 -1.542308 0.478745
C -1.167545 -0.089861 -0.315496
C -2.216298 -2.166438 0.505204
C -1.080413 -1.481961 0.144083
C 4.060454 0.081419 -0.132604
C 1.208337 0.418124 -0.473150
C 3.523772 0.791302 -1.260667
C 3.130234 -0.408505 0.845472
C 2.145774 0.975263 -1.401376
C 1.749395 -0.259040 0.671747
C 6.368493 0.463824 -0.963776
C 5.957552 -0.827615 1.186718
H -5.737052 -0.300793 -0.390120
H -4.799526 1.639552 1.816725
H -5.455242 -0.016635 2.053570
H -6.501789 1.274206 1.391241
H -4.835919 1.457778 -2.022598
H -4.546416 2.558093 -0.639446
H -6.206813 2.048594 -1.035542
H -2.523214 1.524536 -0.820500
H -2.185373 -3.221200 0.802132
H -0.109826 -1.988963 0.122134
H 4.191820 1.210936 -2.017409
H 3.494384 -0.888505 1.758067
H 1.742085 1.535954 -2.250512
H 1.075118 -0.600282 1.464315
H 6.288958 1.567598 -1.023769
H 6.188343 0.050583 -1.976047
H 7.400413 0.212973 -0.674167
H 5.721937 -0.310511 2.138888
H 7.052442 -0.907540 1.105847
H 5.543973 -1.853692 1.241031


