%chk=000269047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269047

0 1
O -4.214211 -1.889061 0.165750
O 5.859199 1.358690 -1.477431
O 7.405378 0.706597 0.201468
O -6.360913 -1.481113 0.052988
N 1.166334 -0.449613 0.042596
C -2.527494 -0.130995 -0.045399
C -3.576032 0.872550 -0.224226
C -2.901580 -1.476925 0.138939
C -4.922236 0.450138 -0.197887
C -1.153694 0.170647 -0.053014
C -0.203570 -0.842444 0.134794
C -3.294823 2.239197 -0.421337
C -1.960129 -2.510610 0.309137
C -5.279194 -0.959000 0.001739
C -5.964629 1.383541 -0.365903
C -0.612638 -2.188425 0.308890
C 5.211975 0.611431 -0.500337
C 3.485456 -0.515099 0.675243
C 6.144330 0.221006 0.508208
C 3.883553 0.262511 -0.446697
C -4.331486 3.152595 -0.586355
C -5.670521 2.728196 -0.558836
C 4.403794 -0.895617 1.661335
C 5.766648 -0.531119 1.598968
C 2.075982 -0.945125 0.822470
C 7.261308 1.440118 -1.062139
H -0.819542 1.200604 -0.205727
H -2.259129 2.580095 -0.446318
H -2.310151 -3.535816 0.434918
H -7.001429 1.033765 -0.342232
H 0.134707 -2.973736 0.425448
H 3.163454 0.560164 -1.210792
H -4.105185 4.209506 -0.739222
H -6.473080 3.452950 -0.689256
H 4.073675 -1.490395 2.513902
H 6.472042 -0.829387 2.369326
H 1.900948 -1.679432 1.628357
H 7.869174 0.927017 -1.818932
H 7.495909 2.494697 -0.866434


%chk=000269047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269047

0 1
O -4.266056 -1.857823 0.374712
O 5.911236 1.659463 -1.253085
O 7.534348 0.570024 0.143462
O -6.508189 -1.420726 0.238030
N 1.167614 -0.359164 0.084393
C -2.560213 -0.099212 -0.013775
C -3.633762 0.877015 -0.261278
C -2.924054 -1.439518 0.297828
C -4.995340 0.442796 -0.180168
C -1.176860 0.202650 -0.077693
C -0.186123 -0.771893 0.186125
C -3.384331 2.240854 -0.579025
C -1.957510 -2.440256 0.529444
C -5.355384 -0.956483 0.145444
C -6.061276 1.351812 -0.412813
C -0.594750 -2.112694 0.477045
C 5.277517 0.726388 -0.394742
C 3.528871 -0.556349 0.643930
C 6.239997 0.087458 0.426467
C 3.922865 0.432489 -0.315919
C -4.444839 3.134654 -0.808730
C -5.791813 2.693751 -0.726743
C 4.501837 -1.192816 1.464842
C 5.881763 -0.880516 1.368894
C 2.116164 -0.925200 0.794403
C 7.359243 1.587524 -0.933636
H -0.829089 1.208381 -0.329032
H -2.355651 2.606588 -0.646989
H -2.297868 -3.458943 0.735773
H -7.086107 0.974346 -0.339961
H 0.156387 -2.896161 0.624445
H 3.166343 0.912569 -0.940447
H -4.227557 4.180320 -1.052445
H -6.612914 3.394991 -0.906594
H 4.175384 -1.944821 2.192495
H 6.630807 -1.367495 1.997385
H 1.902428 -1.694618 1.566770
H 7.912532 1.255677 -1.828461
H 7.696551 2.567041 -0.554346


