%chk=000272131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272131

0 1
O -0.396420 -2.613136 -1.033045
O 4.581935 2.268548 1.550494
O -1.005376 2.796384 -0.408705
N 4.232821 0.859209 -0.205234
N -5.004824 -1.043278 -0.067160
C 2.222301 -1.286551 -0.220979
C 3.734227 -1.592044 -0.201706
C 1.948743 0.070618 0.452498
C 4.522996 -0.443676 -0.856633
C 2.777893 1.190641 -0.194901
C 1.439466 -2.419326 0.474796
C -0.028308 -2.371931 0.089952
C 5.027440 1.380494 0.839908
C -0.980264 -2.039895 1.228602
C -2.362051 -1.690074 0.758258
C 6.445904 0.896199 0.958516
C -2.650427 -0.366237 0.258958
C -3.374888 -2.617863 0.810996
C -3.992168 -0.090104 -0.136515
C -1.678495 0.660080 0.141191
C -4.694265 -2.251797 0.382425
C -4.341661 1.209748 -0.632722
C -2.051829 1.901671 -0.345125
C -3.392856 2.194405 -0.735625
C -1.277298 4.136301 -0.884420
H 1.885579 -1.234117 -1.289202
H 3.941280 -2.536644 -0.737924
H 4.079356 -1.744532 0.837954
H 2.176109 0.020603 1.534596
H 0.867253 0.330090 0.377618
H 4.240686 -0.350618 -1.931969
H 5.610566 -0.659085 -0.840228
H 2.626516 2.150415 0.356182
H 2.458623 1.363541 -1.245690
H 1.845212 -3.402323 0.152081
H 1.592673 -2.381540 1.567827
H -0.568473 -1.209736 1.845345
H -1.011042 -2.910219 1.921611
H 7.005576 1.012039 0.021329
H 6.503200 -0.153393 1.269836
H 6.974442 1.490616 1.722820
H -3.204520 -3.632748 1.161481
H -0.633693 0.479595 0.412876
H -5.500250 -2.995052 0.422680
H -5.380630 1.384607 -0.924937
H -3.653602 3.179739 -1.111774
H -1.621065 4.109559 -1.922201
H -0.284930 4.602506 -0.811367
H -1.991860 4.637811 -0.225769


%chk=000272131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272131

0 1
O -0.180370 -1.504453 -1.056386
O 5.769945 2.451119 0.337322
O -2.037882 3.246727 0.186334
N 4.950535 0.348077 -0.231105
N -5.188145 -1.353667 -0.618149
C 2.519754 -1.287243 -0.028968
C 3.903385 -1.817668 0.420057
C 2.482879 0.257965 0.096590
C 5.049089 -1.118759 -0.352733
C 3.653762 0.913691 -0.666705
C 1.377316 -1.951620 0.770951
C -0.015370 -1.711368 0.170911
C 5.948065 1.194056 0.250887
C -1.190490 -1.783848 1.169783
C -2.564029 -1.611815 0.560562
C 7.274505 0.557214 0.675031
C -3.059951 -0.308180 0.179854
C -3.391306 -2.715905 0.336605
C -4.387586 -0.236819 -0.406074
C -2.319456 0.896880 0.353925
C -4.685392 -2.546356 -0.251512
C -4.908083 1.036937 -0.790791
C -2.859187 2.131192 -0.033082
C -4.168485 2.206837 -0.612437
C -2.537209 4.563265 -0.221437
H 2.370475 -1.544114 -1.098412
H 3.969665 -2.911163 0.251240
H 4.037863 -1.639234 1.506442
H 2.544088 0.546310 1.165872
H 1.530099 0.650237 -0.306485
H 4.982027 -1.398106 -1.426822
H 6.026580 -1.463051 0.017725
H 3.696694 2.000647 -0.492170
H 3.531952 0.738269 -1.756483
H 1.525905 -3.054159 0.786663
H 1.393088 -1.626949 1.830708
H -0.998178 -1.022704 1.953693
H -1.116070 -2.761211 1.687953
H 7.766253 0.027664 -0.161392
H 7.144511 -0.159520 1.506644
H 7.932571 1.371043 1.012721
H -3.057532 -3.724017 0.607295
H -1.310268 0.893150 0.776483
H -5.327339 -3.418340 -0.424660
H -5.909909 1.056881 -1.230391
H -4.592065 3.168658 -0.915841
H -2.727650 4.603323 -1.311197
H -1.731136 5.264765 0.038421
H -3.458317 4.834862 0.329558


