%chk=000231459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231459

0 1
O -1.818351 1.571032 -1.293777
O 4.098120 -0.354062 0.013779
N -2.322280 -0.149596 0.101022
C -3.781866 0.087514 -0.077322
C -1.920326 -1.301258 0.945288
C -1.412941 0.670053 -0.573201
C 0.042775 0.394773 -0.359972
C -4.374415 0.846600 1.109082
C -1.843716 -2.599366 0.140558
C 0.727385 -0.448275 -1.253383
C 0.727242 1.029968 0.680372
C 2.087665 -0.676528 -1.093945
C 2.097099 0.816400 0.861121
C 2.761378 -0.036487 -0.030099
C 4.912877 0.269758 1.036318
H -3.931885 0.678304 -1.015917
H -4.295723 -0.887526 -0.216889
H -0.935040 -1.089884 1.420392
H -2.653661 -1.408810 1.776529
H -4.260632 0.300699 2.051050
H -3.887697 1.823241 1.235650
H -5.443572 1.033306 0.957295
H -2.794296 -2.831480 -0.353517
H -1.078785 -2.542989 -0.643704
H -1.589969 -3.447393 0.786409
H 0.187255 -0.916821 -2.078106
H 0.192287 1.700579 1.355221
H 2.644711 -1.322383 -1.768884
H 2.620226 1.314012 1.669979
H 4.570597 -0.030570 2.030445
H 4.911765 1.356646 0.912717
H 5.904273 -0.149158 0.817789


%chk=000231459-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231459

0 1
O -1.693953 1.947125 -0.315846
O 4.278240 -0.369954 0.173169
N -2.324705 -0.265045 0.017687
C -3.737210 0.155721 -0.178066
C -2.115787 -1.591305 0.645351
C -1.353779 0.733944 -0.098268
C 0.105424 0.377812 0.019603
C -4.361170 0.776709 1.091507
C -2.378547 -2.783274 -0.300556
C 0.693940 -0.775412 -0.568688
C 0.956380 1.319130 0.649388
C 2.081145 -0.991609 -0.506014
C 2.347794 1.109973 0.737531
C 2.913123 -0.055053 0.158396
C 5.188272 0.581141 0.818234
H -3.752669 0.899770 -0.991668
H -4.313716 -0.729551 -0.503493
H -1.087919 -1.638124 1.038685
H -2.794596 -1.668790 1.520018
H -4.330806 0.076741 1.947161
H -3.816026 1.695616 1.363092
H -5.418937 1.040101 0.907272
H -3.416791 -2.782982 -0.677744
H -1.703873 -2.761670 -1.174392
H -2.216933 -3.735252 0.237937
H 0.070677 -1.492495 -1.112388
H 0.509391 2.231868 1.056588
H 2.543795 -1.867556 -0.970466
H 2.973176 1.853654 1.240154
H 4.952284 0.697800 1.893770
H 5.154473 1.569606 0.320740
H 6.189802 0.141660 0.703606


