%chk=000186024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186024

0 1
O 2.579317 0.981192 1.024736
O 1.248855 -0.762906 0.288819
O 5.587884 -1.704749 0.401742
O 3.406632 -2.107595 2.284150
O 5.762287 1.363829 0.001040
O 1.571463 1.975697 -1.558694
O 2.673426 0.148966 -2.255902
O -4.078051 0.758472 0.215980
O -4.580572 0.956478 2.474254
N -6.090266 1.537839 0.782204
C 4.725071 -0.657591 0.864663
C 3.372360 -1.376793 1.053750
C 4.671320 0.470333 -0.190223
C 2.219255 -0.375536 1.272621
C 3.342997 1.262111 -0.150401
C 2.522767 1.008605 -1.420887
C -0.063609 -0.310302 0.399108
C -0.811856 -0.523634 -0.816314
C -2.182688 -0.163937 -0.821905
C -0.618472 0.239952 1.527449
C -2.732814 0.407334 0.383292
C -0.228026 -1.074791 -1.994557
C -1.992775 0.610467 1.519597
C -2.953857 -0.370769 -2.003240
C -0.991480 -1.262052 -3.122379
C -2.369901 -0.909308 -3.125700
C -4.901768 1.059762 1.314091
C -7.273949 1.650327 1.660627
H 5.110415 -0.281422 1.840834
H 3.164886 -2.072821 0.202442
H 4.874689 0.055292 -1.215796
H 1.816122 -0.347445 2.309150
H 3.525840 2.365326 -0.036443
H 6.486814 -1.348029 0.213687
H 4.049693 -2.854659 2.203118
H 5.720539 1.804978 0.879548
H -0.042098 0.409296 2.434616
H 0.963207 1.811736 -2.336487
H 0.835586 -1.337507 -1.975801
H -2.431806 1.037497 2.426861
H -4.008133 -0.092549 -1.986093
H -0.552378 -1.684346 -4.025788
H -2.952317 -1.074179 -4.031303
H -6.254668 1.485289 -0.220167
H -7.938684 0.774199 1.575382
H -7.838363 2.560499 1.391852
H -6.966894 1.744041 2.721665


%chk=000186024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186024

0 1
O 2.555553 0.913205 1.104940
O 1.265212 -0.839323 0.083717
O 5.864858 -1.496353 0.793085
O 3.439882 -2.493360 1.811128
O 5.883983 1.533118 0.361101
O 1.553675 1.839841 -1.499488
O 3.092997 0.295332 -2.306697
O -4.197438 0.623792 0.285304
O -4.491203 1.561956 2.466615
N -6.239602 1.329585 0.915950
C 4.754061 -0.566424 1.008691
C 3.474842 -1.402049 0.841287
C 4.790871 0.608351 0.014018
C 2.238719 -0.522578 1.114970
C 3.404734 1.306739 -0.049388
C 2.692289 1.054523 -1.396891
C -0.076338 -0.404375 0.232626
C -0.901902 -0.636950 -0.923024
C -2.300238 -0.270446 -0.866183
C -0.597590 0.194820 1.377173
C -2.809168 0.316737 0.347266
C -0.373912 -1.203760 -2.129495
C -1.978053 0.553148 1.443392
C -3.120846 -0.496272 -2.018813
C -1.198084 -1.404488 -3.240291
C -2.581904 -1.050493 -3.182910
C -4.939700 1.213451 1.348577
C -7.291167 1.899317 1.761861
H 4.788224 -0.165775 2.046350
H 3.437449 -1.789600 -0.197263
H 5.067276 0.231904 -0.984385
H 1.847451 -0.716570 2.127320
H 3.518710 2.397577 0.069303
H 6.711286 -0.981647 0.777948
H 4.288973 -2.997853 1.712047
H 5.712156 1.913137 1.262372
H 0.035683 0.430156 2.235597
H 1.048322 1.605786 -2.325579
H 0.683631 -1.481815 -2.158826
H -2.377288 1.016324 2.345706
H -4.177413 -0.221440 -1.968167
H -0.784084 -1.838562 -4.156788
H -3.221186 -1.215781 -4.057107
H -6.454083 0.995316 -0.023467
H -8.086727 1.159005 1.965253
H -7.742658 2.792207 1.291759
H -6.834254 2.197188 2.718602


