%chk=000261813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261813

0 1
O 4.269679 2.839078 0.841595
O 2.121756 3.035103 0.896008
O 5.288325 -2.977202 -0.901602
O 6.449089 -1.227094 -0.377279
N 0.571228 1.051157 0.311509
N -0.634145 0.396751 0.120146
N 3.151885 2.381545 0.703101
N 5.393278 -1.812367 -0.553080
C -4.085610 1.026180 -0.554817
C -3.028292 0.377072 0.116020
C -4.434323 -1.573491 0.498590
C -3.934921 2.405314 -1.140202
C -3.203991 -0.917046 0.629374
C -4.617206 -2.962629 1.048125
C -5.312919 0.357852 -0.680950
C -5.489346 -0.924506 -0.160999
C -4.292881 3.484580 -0.119549
C -1.735647 1.071203 0.302581
C -4.256170 -4.017669 0.003076
C 1.742725 0.351328 0.096628
C 3.011613 0.994408 0.288580
C 1.732914 -1.022112 -0.319102
C 4.204285 0.268334 0.070792
C 4.153063 -1.058610 -0.328032
C 2.899028 -1.709042 -0.525916
H -2.906881 2.562962 -1.524500
H -4.584357 2.511295 -2.035878
H -2.372650 -1.414824 1.130515
H -3.996150 -3.105059 1.956770
H -5.663780 -3.110134 1.386412
H -6.141363 0.847838 -1.192542
H -6.450521 -1.425333 -0.272060
H -1.813679 2.134267 0.590773
H -5.334248 3.388308 0.213914
H -4.175896 4.487894 -0.545636
H -3.664367 3.428233 0.776188
H -4.884701 -3.928920 -0.891312
H -4.385305 -5.030604 0.400502
H -3.213577 -3.919058 -0.323144
H 0.613710 2.058224 0.609632
H 0.763557 -1.512807 -0.471063
H 5.178301 0.770092 0.221862
H 2.897390 -2.760608 -0.844431


%chk=000261813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261813

0 1
O 4.246272 3.000129 -0.685021
O 1.970184 3.085247 -0.739196
O 5.500454 -2.968966 0.800632
O 6.635133 -1.040364 0.332305
N 0.567361 0.950689 -0.225166
N -0.619955 0.252024 -0.065746
N 3.099369 2.430314 -0.560858
N 5.542580 -1.712587 0.490362
C -4.235026 1.118444 -0.359091
C -3.051362 0.337430 -0.141494
C -4.416480 -1.680978 0.316814
C -4.206742 2.611307 -0.670258
C -3.166252 -1.044678 0.191944
C -4.516782 -3.167504 0.626363
C -5.486734 0.467332 -0.232819
C -5.583960 -0.899659 0.097937
C -4.009984 3.488289 0.596952
C -1.726427 0.950391 -0.265900
C -4.555093 -4.033515 -0.661941
C 1.775944 0.315695 -0.051096
C 3.033037 1.013101 -0.210406
C 1.827203 -1.075449 0.296338
C 4.264244 0.344832 -0.031592
C 4.259251 -1.012855 0.305124
C 3.040844 -1.731857 0.472418
H -3.420898 2.853900 -1.411203
H -5.164947 2.890253 -1.146273
H -2.243425 -1.613177 0.351463
H -3.655218 -3.480646 1.245953
H -5.428247 -3.367024 1.221695
H -6.401897 1.049070 -0.396479
H -6.571584 -1.368482 0.189048
H -1.677775 2.018286 -0.543150
H -4.816172 3.302734 1.328870
H -4.021908 4.561807 0.335336
H -3.050218 3.269092 1.099837
H -5.423227 -3.768069 -1.292235
H -4.627370 -5.107497 -0.411567
H -3.642635 -3.880258 -1.265871
H 0.623751 1.961557 -0.477601
H 0.875695 -1.596062 0.416061
H 5.203749 0.889030 -0.157124
H 3.084146 -2.791425 0.737230


