%chk=000241816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241816

0 1
O -4.844641 0.451044 0.448869
O 2.473406 2.555894 -0.755240
O 5.633183 -1.551572 1.281076
O 5.695868 -1.539723 -0.961127
N 1.088174 0.726041 -0.431183
C -1.326142 0.613639 -0.078327
C -1.558051 -0.841829 0.024368
C -2.583106 1.278786 0.074283
C -2.954405 -1.068269 0.241470
C -3.670631 0.249498 0.284483
C -0.174983 1.377999 -0.283213
C -2.703396 2.648164 0.025000
C -0.691146 -1.918580 -0.054185
C -3.465592 -2.342971 0.376667
C -0.296315 2.795402 -0.335309
C -1.528584 3.408074 -0.185036
C -1.215951 -3.221951 0.084126
C -2.573874 -3.434470 0.295563
C 2.326149 1.356988 -0.659256
C 3.459736 0.382683 -0.800744
C 4.017175 -0.233155 0.240908
C 5.171764 -1.143549 0.052504
H -3.671472 3.135592 0.143418
H 0.376415 -1.784844 -0.220277
H -4.532316 -2.504113 0.541886
H 0.600859 3.407804 -0.497484
H -1.600784 4.496509 -0.228438
H -0.536076 -4.073072 0.022191
H 1.064835 -0.303536 -0.371103
H -2.960288 -4.447515 0.399856
H 3.821756 0.262676 -1.832318
H 3.688628 -0.104905 1.279412
H 6.420903 -2.159940 1.212061


%chk=000241816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241816

0 1
O -4.808023 0.373233 0.572136
O 2.497523 2.727847 -1.083249
O 4.943916 -2.238229 1.083596
O 5.985271 -1.042511 -0.626636
N 1.139969 0.897613 -0.455056
C -1.273360 0.661457 -0.096438
C -1.439702 -0.819935 0.045999
C -2.551676 1.273231 0.075698
C -2.817701 -1.084322 0.331300
C -3.574863 0.211478 0.358589
C -0.145979 1.488179 -0.339558
C -2.748929 2.657310 -0.012603
C -0.554353 -1.914006 -0.059661
C -3.312569 -2.380384 0.525877
C -0.338516 2.902298 -0.440478
C -1.618855 3.469439 -0.282778
C -1.048637 -3.231863 0.138893
C -2.410158 -3.470464 0.433210
C 2.357480 1.504963 -0.773775
C 3.550002 0.601050 -0.731354
C 3.730876 -0.440822 0.129818
C 4.993723 -1.219925 0.118051
H -3.748506 3.080803 0.124478
H 0.507153 -1.811386 -0.313027
H -4.375574 -2.531529 0.740907
H 0.527954 3.533281 -0.645893
H -1.729180 4.555410 -0.366773
H -0.357561 -4.077873 0.056049
H 1.178030 -0.110279 -0.302850
H -2.764298 -4.495703 0.581340
H 4.365388 0.886816 -1.407494
H 2.994759 -0.732245 0.887950
H 5.797495 -2.750132 1.068635


