%chk=000244312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244312

0 1
O 0.833663 2.842451 -0.961950
O 3.056159 -1.851274 0.459539
O -0.082554 -2.308079 1.650629
O -2.526263 -0.893299 0.684715
O 1.463838 2.203685 1.123076
O 1.975298 -1.749319 -1.535204
N -0.947725 0.467203 -0.339868
C 0.526089 0.561879 -0.470321
C 1.105262 -0.567868 0.416357
C -1.842346 1.339386 -1.172432
C -0.106665 -1.336975 0.961726
C -1.380907 -0.600870 0.447656
C 0.997553 1.933670 0.045406
C 2.048041 -1.454016 -0.366390
C -2.525199 0.492898 -2.247227
C -2.856241 2.028064 -0.258366
C 1.163567 4.247963 -0.690756
C 4.046393 -2.803181 -0.065345
C 0.055238 4.882761 0.118765
C 3.443535 -4.188622 -0.110601
H 0.836592 0.442950 -1.548315
H 1.657526 -0.137464 1.308316
H -1.186090 2.115380 -1.658437
H -1.801078 -0.019406 -2.890908
H -3.162416 1.110070 -2.890355
H -3.169520 -0.281390 -1.802919
H -3.520970 2.683882 -0.830425
H -3.493346 1.293710 0.262358
H -2.368188 2.631520 0.514971
H 1.237970 4.639817 -1.722046
H 2.143045 4.283317 -0.181527
H 4.844177 -2.693924 0.693129
H 4.384386 -2.445135 -1.053379
H 0.194832 5.967779 0.207166
H -0.930129 4.710538 -0.333949
H 0.019852 4.475044 1.140815
H 4.206363 -4.954164 -0.298039
H 2.944435 -4.442702 0.835988
H 2.687226 -4.276080 -0.905056


%chk=000244312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244312

0 1
O 0.864384 2.983468 -0.951584
O 3.076763 -1.945852 0.502490
O 0.084254 -2.296090 1.683922
O -2.443727 -1.022196 0.700950
O 1.343013 2.315066 1.232856
O 2.170158 -1.506637 -1.608464
N -0.891750 0.439573 -0.343704
C 0.580453 0.647023 -0.448632
C 1.221924 -0.459564 0.417816
C -1.851145 1.229937 -1.173626
C 0.025020 -1.280574 0.971248
C -1.271740 -0.624624 0.459164
C 0.973853 2.047404 0.067739
C 2.190692 -1.338233 -0.365402
C -2.546682 0.312063 -2.207830
C -2.863042 1.979767 -0.276561
C 1.173435 4.411078 -0.592898
C 3.996939 -2.979750 -0.080476
C -0.039743 5.087754 0.048391
C 3.292071 -4.335536 -0.157296
H 0.890538 0.555410 -1.505469
H 1.748399 -0.034325 1.291871
H -1.233349 1.970967 -1.712506
H -1.804294 -0.200602 -2.845379
H -3.201018 0.919803 -2.858552
H -3.164781 -0.448388 -1.702657
H -3.534895 2.589393 -0.907327
H -3.473005 1.263669 0.298071
H -2.346704 2.651744 0.432284
H 1.441935 4.860292 -1.561495
H 2.043893 4.412153 0.085991
H 4.843076 -2.987987 0.623984
H 4.327204 -2.631368 -1.074910
H 0.186097 6.155694 0.223388
H -0.923127 5.027806 -0.610652
H -0.280967 4.626025 1.020237
H 4.012090 -5.108377 -0.484361
H 2.893115 -4.625620 0.829232
H 2.462064 -4.310166 -0.883058


