%chk=000279332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279332

0 1
O -2.913080 -0.859438 0.269973
N 3.556831 -0.059554 0.143759
N 5.740878 -0.643014 -0.928538
N 5.619103 0.117022 1.396286
N 3.643200 0.983124 2.332891
N 7.661323 -0.639610 0.446425
N -1.956604 1.192665 -0.256493
N -4.307629 0.929723 -0.247197
C 4.288962 -0.585067 -1.120729
C 3.760988 -2.002157 -1.388955
C 3.991428 0.366790 -2.288250
C 2.149246 0.255259 0.051307
C 4.297870 0.319609 1.273148
C 6.294339 -0.385718 0.244882
C 1.729659 1.566591 -0.236025
C 1.203138 -0.763372 0.253668
C 0.371464 1.855066 -0.330898
C -0.157525 -0.481160 0.157358
C -0.578978 0.827601 -0.137219
C -3.050968 0.305919 -0.047637
C -5.577486 0.277278 -0.098860
C -6.723355 1.063683 -0.344155
C -5.702520 -1.071332 0.270977
C -7.986252 0.484909 -0.214631
C -6.977272 -1.627151 0.393850
C -8.119936 -0.857789 0.153542
H 3.871416 -2.649461 -0.511110
H 2.711218 -2.005707 -1.693748
H 4.347923 -2.467652 -2.194726
H 4.561491 0.052030 -3.174940
H 2.931593 0.377927 -2.557597
H 4.304017 1.393077 -2.066270
H 2.470041 2.355856 -0.378896
H 1.532885 -1.778547 0.484211
H 0.056588 2.872292 -0.554024
H -0.891869 -1.281759 0.313129
H 4.189175 1.071752 3.187496
H 2.671029 0.756835 2.499400
H 8.104410 -0.147999 1.210987
H 8.228410 -0.729495 -0.386496
H -2.134520 2.166156 -0.506119
H -4.348328 1.911621 -0.522658
H -6.636868 2.107717 -0.631081
H -4.815942 -1.685214 0.461565
H -8.874776 1.087567 -0.402946
H -7.077295 -2.674626 0.680870
H -9.107922 -1.301147 0.252174


%chk=000279332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279332

0 1
O -2.978950 -1.013867 0.328422
N 3.619925 0.028391 0.067137
N 5.830408 -0.146239 -1.049304
N 5.625134 -0.071320 1.397990
N 3.559476 0.214342 2.437341
N 7.697652 0.112674 0.345667
N -1.992532 1.057654 -0.222726
N -4.316198 0.850384 -0.224406
C 4.406498 -0.492495 -1.161590
C 4.243815 -2.037905 -1.223486
C 3.850546 0.164981 -2.439145
C 2.199014 0.261568 0.002114
C 4.294771 0.039380 1.281835
C 6.333237 -0.053592 0.176243
C 1.701217 1.559301 -0.282438
C 1.268511 -0.786129 0.227065
C 0.316664 1.794321 -0.350894
C -0.122515 -0.564182 0.164759
C -0.611315 0.737449 -0.130958
C -3.090793 0.198768 -0.012594
C -5.628550 0.312614 -0.081442
C -6.714870 1.185135 -0.366200
C -5.889370 -1.023460 0.324477
C -8.043696 0.731836 -0.247600
C -7.226994 -1.460174 0.438654
C -8.310110 -0.596919 0.156970
H 4.617715 -2.499526 -0.292023
H 3.188013 -2.327228 -1.377480
H 4.841985 -2.428226 -2.065028
H 4.460616 -0.186026 -3.287524
H 2.794782 -0.101018 -2.620305
H 3.950394 1.261928 -2.380141
H 2.411694 2.375364 -0.447455
H 1.641268 -1.790591 0.455494
H -0.048343 2.805550 -0.574723
H -0.831686 -1.373820 0.342769
H 4.084263 0.289653 3.304636
H 2.543400 0.219665 2.434452
H 8.059000 0.267794 1.281467
H 8.299945 0.125972 -0.471615
H -2.187177 2.032974 -0.459356
H -4.292292 1.825740 -0.529938
H -6.519185 2.219271 -0.680988
H -5.054813 -1.692359 0.539074
H -8.868973 1.416765 -0.471217
H -7.420023 -2.492318 0.752075
H -9.342057 -0.950980 0.249635


