%chk=000271401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271401

0 1
O 4.149697 -0.543211 -0.054312
O 0.272226 -1.406172 -1.646652
O -3.078540 -0.326752 1.520775
O -0.256929 -2.370877 0.324088
O -3.419022 -1.309497 -0.489308
N 1.775552 0.562427 1.147641
C 0.546521 0.904113 0.551433
C 0.220402 2.383711 0.607080
C 2.975237 1.401081 0.845622
C 2.187574 -0.850370 1.371835
C 0.034349 2.918161 -0.819296
C -0.391789 0.052659 0.035196
C 3.769172 0.817094 -0.336231
C 3.015291 -1.400911 0.201434
C -1.405027 2.773691 -1.331479
C -1.765479 0.484920 -0.242369
C -2.200208 1.622297 -0.807636
C -0.147205 -1.358383 -0.331605
C -2.822176 -0.501813 0.181263
C 0.385722 -2.722293 -2.252261
C -4.022969 -1.249651 2.128681
H -0.705731 2.528384 1.209061
H 0.992305 2.970098 1.144457
H 3.611100 1.406465 1.762389
H 2.690295 2.455957 0.648634
H 1.309211 -1.494221 1.605300
H 2.807642 -0.854901 2.301465
H 0.725527 2.390807 -1.508755
H 0.327086 3.985404 -0.857967
H 3.195278 0.846225 -1.279110
H 4.747213 1.312866 -0.470175
H 3.498708 -2.363567 0.445994
H 2.426732 -1.497753 -0.729489
H -1.387234 2.698960 -2.443816
H -1.961884 3.710907 -1.107847
H -3.281507 1.771602 -0.935115
H 0.811859 -3.442709 -1.546316
H 1.040674 -2.544606 -3.110244
H -0.616694 -3.035499 -2.564393
H -4.923568 -1.334667 1.512339
H -4.226534 -0.782700 3.096980
H -3.533878 -2.223377 2.238609


%chk=000271401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271401

0 1
O 4.500260 -0.558147 1.185898
O -1.198992 -1.612127 -1.512649
O -2.323635 -1.132760 1.159385
O 1.029932 -1.737249 -0.862043
O -4.066400 -0.217902 -0.078702
N 1.875389 0.609965 0.740031
C 0.651595 1.048638 0.261564
C 0.382844 2.550320 0.269672
C 3.095313 1.454166 0.768112
C 2.049403 -0.640489 1.529460
C 0.018358 3.084030 -1.146208
C -0.363228 0.203151 -0.233978
C 4.320002 0.618184 0.330739
C 3.299233 -1.417806 1.088539
C -1.508052 3.039069 -1.401662
C -1.777636 0.673204 -0.334622
C -2.255582 1.860531 -0.823041
C -0.069141 -1.109418 -0.823212
C -2.843888 -0.246502 0.204590
C -0.998490 -2.904312 -2.193604
C -3.302982 -2.084487 1.726051
H -0.475603 2.730627 0.948968
H 1.231973 3.104058 0.700254
H 3.271405 1.842095 1.794085
H 2.989904 2.306403 0.077477
H 1.151923 -1.265200 1.443576
H 2.175938 -0.335224 2.591603
H 0.550465 2.481372 -1.904574
H 0.366805 4.128083 -1.262680
H 4.193923 0.305239 -0.728268
H 5.243761 1.211908 0.436148
H 3.492945 -2.264727 1.766567
H 3.162103 -1.775867 0.052621
H -1.709493 3.086034 -2.493572
H -1.972724 3.957341 -0.985523
H -3.349176 1.975960 -0.790004
H -0.205022 -2.822912 -2.956354
H -1.969940 -3.127897 -2.658263
H -0.714789 -3.687486 -1.468958
H -4.136100 -1.543073 2.205930
H -2.733778 -2.670522 2.461937
H -3.709824 -2.732372 0.930610


