%chk=000250699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250699

0 1
O 4.092273 1.123979 0.710643
O 5.071448 -1.801450 1.633684
O 6.036208 -1.176192 -0.598170
O 4.117037 2.642349 -1.956563
N 2.031384 0.138835 1.306782
N -0.097187 0.881998 1.793217
N 1.500440 -1.093541 -0.824188
N -2.475481 0.143493 -0.047892
N -0.883914 -1.016122 -1.386716
C 4.057553 -1.279667 0.796026
C 3.498892 0.032323 1.421236
C 4.642968 -0.839561 -0.577407
C 4.603872 0.702303 -0.589810
C 3.706696 1.300889 -1.679751
C 1.197953 -0.331815 0.280741
C 1.175970 0.894380 2.188881
C -0.124039 0.126686 0.607707
C -1.188574 -0.242977 -0.274982
C 0.412851 -1.389464 -1.592369
C -3.583073 -0.238758 -0.963945
C -4.878362 0.321050 -0.436761
C -5.648984 -0.424130 0.467399
C -5.315023 1.588475 -0.848278
C -6.853203 0.094910 0.950775
C -6.520166 2.102912 -0.362072
C -7.290202 1.357418 0.536580
H 3.309404 -2.100552 0.729924
H 3.804226 0.185329 2.485383
H 4.118189 -1.313140 -1.432011
H 5.630502 1.143013 -0.621387
H 2.640259 1.288042 -1.389486
H 3.838081 0.792556 -2.654837
H 5.928993 -1.308355 1.490262
H 6.146683 -2.149747 -0.706740
H 1.572706 1.390046 3.064676
H 3.962559 3.208787 -1.167665
H -2.696089 0.714241 0.769822
H 0.597627 -2.002780 -2.491811
H -3.621744 -1.352426 -1.058120
H -3.359451 0.133404 -1.994390
H -5.310832 -1.406994 0.793854
H -4.717017 2.173367 -1.546337
H -7.451724 -0.485630 1.651701
H -6.859159 3.086804 -0.684022
H -8.229247 1.759813 0.913818


%chk=000250699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250699

0 1
O 4.125657 1.085159 0.380961
O 4.674074 -1.480816 2.200390
O 5.382151 -2.245479 -0.234768
O 5.277273 1.996327 -2.070274
N 1.895682 0.673858 1.200162
N -0.092007 1.761770 1.594760
N 1.253470 -0.568355 -0.874812
N -2.484257 1.357363 -0.295605
N -1.073800 -0.112580 -1.528699
C 3.665632 -1.152956 1.199804
C 3.318225 0.346224 1.365789
C 4.286219 -1.259022 -0.230643
C 4.886187 0.136893 -0.490338
C 4.741859 0.641597 -1.928471
C 1.023217 0.282483 0.172814
C 1.169203 1.567007 2.011835
C -0.194021 0.961545 0.441189
C -1.275425 0.741345 -0.466630
C 0.147761 -0.705047 -1.668759
C -3.628914 1.200489 -1.208032
C -4.883338 0.689810 -0.505456
C -4.825592 -0.450506 0.336269
C -6.129630 1.331277 -0.707091
C -5.993471 -0.941399 0.958741
C -7.301720 0.840000 -0.086839
C -7.236672 -0.298077 0.748385
H 2.776677 -1.799075 1.322686
H 3.610150 0.672436 2.379086
H 3.494795 -1.503918 -0.959548
H 5.946410 0.159265 -0.174951
H 3.672945 0.595286 -2.225629
H 5.341636 0.013245 -2.609055
H 5.374757 -2.012008 1.723052
H 5.058907 -3.108278 -0.593823
H 1.618328 2.034606 2.885844
H 4.825114 2.563876 -1.393663
H -2.579089 1.962008 0.524191
H 0.252501 -1.373670 -2.528808
H -3.295676 0.492978 -1.988756
H -3.845803 2.167147 -1.703711
H -3.863374 -0.949721 0.500408
H -6.184884 2.218067 -1.351339
H -5.937243 -1.824328 1.605440
H -8.259669 1.346095 -0.251074
H -8.142944 -0.678818 1.232369


