%chk=000278716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278716

0 1
O 3.334937 1.043836 1.685724
O 5.209432 1.154614 2.812187
O -1.265297 1.804104 1.646861
O -3.878142 -2.392988 -2.553783
O -2.624553 -0.553416 -2.397249
N -0.954980 0.938699 -0.480458
C 3.224589 0.171848 -0.588999
C 4.658295 -0.070181 -0.586861
C 2.617884 0.727269 0.558318
C 5.394871 0.256431 0.572897
C 0.443443 0.701095 -0.458140
C 1.245125 0.998664 0.646051
C 2.378707 -0.115356 -1.684900
C -4.024719 0.473816 0.209983
C -3.180141 1.594942 0.211116
C 1.020728 0.135695 -1.633256
C -3.521268 -0.869745 0.587088
C 5.344483 -0.616989 -1.694036
C 4.743614 0.826356 1.753607
C -1.727687 1.470781 0.578236
C 6.788058 0.038907 0.618608
C -5.378001 0.628729 -0.125597
C -3.163619 -1.823584 -0.383705
C 6.716388 -0.826335 -1.636615
C -3.684230 2.861055 -0.110246
C 7.445743 -0.499308 -0.478753
C -3.427148 -1.205517 1.945292
C -5.877559 1.892383 -0.451698
C -5.033788 3.008036 -0.441993
C -2.756871 -3.109791 0.002887
C -2.999237 -2.479853 2.327081
C -2.672757 -3.434887 1.357945
C -3.167635 -1.475969 -1.822796
H 0.834702 1.433198 1.566732
H 2.814903 -0.545719 -2.589902
H 0.388639 -0.094041 -2.489651
H 4.791167 -0.873342 -2.596368
H -1.456587 0.650157 -1.347515
H 7.335841 0.300921 1.528916
H -6.038996 -0.238362 -0.127024
H 7.238890 -1.248592 -2.496623
H -3.023609 3.730249 -0.096473
H 8.520298 -0.668782 -0.448656
H -3.681553 -0.461809 2.704143
H -6.930024 2.008276 -0.712317
H -5.427346 3.993145 -0.691903
H -2.506856 -3.850832 -0.759216
H -2.919585 -2.729231 3.386939
H -2.348886 -4.431002 1.659795
H -3.883859 -2.182375 -3.529875


%chk=000278716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278716

0 1
O 3.464969 1.387997 1.578393
O 5.504978 1.662071 2.578359
O -1.220878 2.353741 1.559136
O -3.478897 -2.504950 -2.850409
O -2.593558 -0.412653 -2.415624
N -0.991356 0.948319 -0.323676
C 3.204266 0.121967 -0.530973
C 4.648236 -0.135000 -0.553523
C 2.655895 0.880529 0.540941
C 5.459753 0.385770 0.505207
C 0.402132 0.710918 -0.342756
C 1.287179 1.184350 0.654874
C 2.286230 -0.334143 -1.519145
C -3.958291 0.510649 0.111166
C -3.207817 1.704570 0.306490
C 0.918784 -0.052450 -1.435555
C -3.425333 -0.859666 0.438161
C 5.292416 -0.881239 -1.581499
C 4.879586 1.172750 1.617161
C -1.725170 1.694717 0.599458
C 6.861890 0.162376 0.523535
C -5.328510 0.616918 -0.245036
C -3.189619 -1.867599 -0.546205
C 6.680708 -1.097894 -1.556059
C -3.843934 2.966018 0.205739
C 7.475666 -0.576241 -0.501039
C -3.315780 -1.223359 1.803634
C -5.946628 1.877818 -0.387667
C -5.207039 3.058009 -0.143370
C -2.921423 -3.207819 -0.160605
C -3.004688 -2.547279 2.185377
C -2.828587 -3.549023 1.202800
C -3.071765 -1.497492 -1.978534
H 0.924681 1.779546 1.493740
H 2.650134 -0.918503 -2.369717
H 0.234273 -0.408738 -2.213448
H 4.705442 -1.294813 -2.407177
H -1.533713 0.547721 -1.110528
H 7.439224 0.581365 1.353847
H -5.914959 -0.298922 -0.381214
H 7.152921 -1.674689 -2.359134
H -3.251160 3.866500 0.396161
H 8.556632 -0.748654 -0.488015
H -3.494659 -0.459626 2.567604
H -7.004731 1.937013 -0.665058
H -5.686790 4.038775 -0.228158
H -2.763295 -3.961607 -0.937538
H -2.917619 -2.798284 3.247913
H -2.608282 -4.580294 1.496646
H -3.315707 -2.214268 -3.788883


