%chk=000224694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224694

0 1
O 3.329846 0.290929 -1.143781
O 0.414186 -0.825776 0.395146
O -2.596333 2.325824 0.576103
O 1.827301 1.471997 3.343723
O 4.899675 0.261497 0.498834
O 2.104022 -2.330212 0.570259
O -0.536115 2.555603 -0.428657
N 1.769882 1.283281 1.060817
N -0.834853 2.857625 1.866252
C 2.525762 0.025940 1.068885
C 1.424649 1.885755 2.273859
C 0.576257 3.161881 2.140469
C 3.750304 0.195785 0.152684
C 1.702816 -1.195534 0.644064
C -3.500371 0.497721 -0.714733
C -3.199168 1.969001 -0.710529
C 4.348806 0.432365 -2.191959
C -0.520993 -1.857560 -0.074349
C -1.233358 2.559803 0.568462
C -3.936710 -0.135887 0.457887
C -3.379098 -0.235862 -1.903477
C -4.253137 -1.496539 0.439493
C -3.705918 -1.595052 -1.918047
C 5.034124 -0.895874 -2.421737
C -0.219363 -2.206780 -1.514667
C -4.142342 -2.226445 -0.748820
H 2.915170 -0.180059 2.123585
H 1.275321 1.509240 0.180949
H 0.994993 3.825937 1.342727
H 0.648669 3.730401 3.100778
H -1.454875 2.691614 2.655295
H -2.532636 2.285290 -1.537653
H -4.122443 2.582878 -0.704461
H 3.717371 0.756394 -3.039891
H 5.048035 1.231661 -1.889908
H -1.483052 -1.323060 0.055907
H -0.449112 -2.724183 0.604786
H -4.021537 0.440182 1.380220
H -3.031286 0.247278 -2.815569
H -4.592842 -1.987307 1.350786
H -3.621766 -2.162098 -2.844176
H 5.668125 -1.174126 -1.565030
H 4.307970 -1.709181 -2.556465
H 5.676255 -0.870025 -3.310007
H -0.116070 -1.303649 -2.131995
H 0.722407 -2.769006 -1.603177
H -1.016880 -2.819706 -1.951152
H -4.399186 -3.284561 -0.763930


%chk=000224694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224694

0 1
O 3.334429 0.300425 -1.126761
O 0.455384 -0.968541 0.465264
O -2.609330 2.428260 0.620655
O 2.036922 1.628895 3.439976
O 4.963173 0.327794 0.551484
O 2.339107 -2.339040 0.621384
O -0.467885 2.500226 -0.385926
N 1.753336 1.275714 1.143358
N -0.785221 2.875062 1.901842
C 2.554361 0.056217 1.125481
C 1.533728 1.961031 2.325257
C 0.622183 3.201073 2.176631
C 3.774698 0.226481 0.192495
C 1.791484 -1.217318 0.715263
C -3.572647 0.560798 -0.712775
C -3.218168 2.036486 -0.680539
C 4.386927 0.464708 -2.180770
C -0.359856 -2.133718 -0.017367
C -1.214515 2.584818 0.631422
C -4.102169 -0.088046 0.431528
C -3.432247 -0.169610 -1.918156
C -4.488678 -1.445124 0.367867
C -3.830952 -1.524676 -1.986755
C 4.953167 -0.898373 -2.585057
C -0.131166 -2.364194 -1.512790
C -4.360162 -2.166295 -0.843440
H 2.948647 -0.093969 2.147336
H 1.227595 1.550494 0.299136
H 1.000418 3.841112 1.358857
H 0.678938 3.757160 3.124657
H -1.460485 2.831162 2.665031
H -2.521337 2.302901 -1.494151
H -4.121646 2.668317 -0.743234
H 3.848682 0.957366 -3.005831
H 5.174126 1.130340 -1.784999
H -1.393948 -1.828403 0.203201
H -0.080110 -3.020653 0.578282
H -4.199437 0.471533 1.368125
H -3.009754 0.319887 -2.804162
H -4.894813 -1.938254 1.258091
H -3.723204 -2.077575 -2.926616
H 5.486755 -1.368327 -1.742324
H 4.148726 -1.576412 -2.917894
H 5.667712 -0.770646 -3.419371
H -0.351714 -1.447265 -2.085018
H 0.908297 -2.674769 -1.709503
H -0.808071 -3.163255 -1.867182
H -4.668778 -3.216396 -0.894197


