%chk=000253431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253431

0 1
O -0.833997 0.765453 -0.046635
O 2.067592 2.906610 -1.619269
O -0.045439 2.436079 -1.604078
O 4.579602 -2.338539 0.590878
O 5.255592 -0.576808 -0.470981
N 1.117188 2.196834 -1.338144
N 4.391476 -1.264110 0.044140
C -2.979818 -0.209307 -0.446213
C -1.967500 0.077892 0.481232
C -4.166029 -0.787789 0.063899
C 0.380874 0.174812 -0.020211
C -2.068258 -0.145253 1.854823
C -4.283902 -1.034915 1.440525
C -2.796663 0.108026 -1.889327
C 1.412399 0.935759 -0.639424
C -3.252494 -0.712133 2.328576
C -5.291893 -1.131516 -0.853295
C 0.672876 -1.078466 0.566928
C 2.733065 0.465588 -0.603405
C 3.008749 -0.761707 0.004661
C 1.974102 -1.540958 0.580048
H -1.261063 0.131810 2.528855
H -5.200299 -1.480412 1.828881
H -3.669603 0.631176 -2.306467
H -1.930182 0.775619 -2.058157
H -2.637566 -0.799513 -2.487557
H -3.374810 -0.900007 3.395462
H -4.956113 -1.765967 -1.687165
H -5.733119 -0.224497 -1.295761
H -6.105490 -1.669141 -0.348240
H -0.131497 -1.676874 1.000945
H 3.543226 1.063787 -1.058544
H 2.227696 -2.509832 1.033422


%chk=000253431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253431

0 1
O -0.853708 0.843953 -0.026563
O 2.207745 3.191623 -1.070302
O 0.203337 2.502652 -1.919553
O 4.556452 -2.523727 0.454763
O 5.331027 -0.603439 -0.510447
N 1.270366 2.316681 -1.222772
N 4.383450 -1.339885 -0.034327
C -3.006773 -0.219760 -0.431460
C -2.005537 0.151086 0.495891
C -4.191069 -0.825012 0.095456
C 0.386332 0.240352 -0.051438
C -2.125506 -0.014384 1.889900
C -4.317341 -1.016047 1.493910
C -2.830060 0.026988 -1.917023
C 1.476875 0.990746 -0.591431
C -3.301065 -0.611257 2.389180
C -5.309926 -1.249199 -0.837552
C 0.645906 -1.060069 0.460071
C 2.789027 0.492108 -0.567252
C 3.009331 -0.796632 -0.047887
C 1.946559 -1.583043 0.454709
H -1.330619 0.331934 2.557804
H -5.229877 -1.478523 1.886694
H -3.726586 0.510813 -2.344955
H -1.963949 0.676902 -2.116331
H -2.687860 -0.923736 -2.467044
H -3.426512 -0.751413 3.467639
H -4.949390 -1.946272 -1.617165
H -5.745861 -0.380135 -1.366743
H -6.122212 -1.748387 -0.283698
H -0.182317 -1.648385 0.862874
H 3.619359 1.089562 -0.952556
H 2.159104 -2.584390 0.838007


