%chk=000239022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239022

0 1
O 0.983625 -0.130277 0.093030
O -0.151824 1.924134 -0.174123
O -4.975541 0.337930 0.930336
O -4.045951 -1.028149 -0.710903
N 2.265698 0.650419 -0.088836
C 4.636044 0.559914 0.002054
C 3.362542 -1.616391 0.282347
C 4.752151 2.067686 -0.264036
C 4.992213 1.551881 1.155016
C 3.899619 -2.548770 -0.837280
C 2.432599 -2.625018 -0.384810
C 3.313887 -0.140709 0.046784
C -0.160218 0.693904 0.000487
C -1.389604 -0.201521 0.061408
C -2.631008 0.584167 0.519393
C -3.916733 -0.135509 0.160501
C -6.332338 -0.229998 0.640001
C -7.017259 0.568485 -0.470590
H 5.459783 -0.073597 -0.342201
H 3.717711 -1.872108 1.289925
H 5.616356 2.397655 -0.843787
H 3.817491 2.600643 -0.447436
H 4.209374 1.739870 1.892855
H 6.014555 1.518709 1.537543
H 4.092417 -2.100313 -1.815048
H 4.581486 -3.350187 -0.545577
H 2.117017 -3.484944 0.209726
H 1.678316 -2.232661 -1.068323
H -1.189387 -1.071862 0.710060
H -1.575327 -0.609985 -0.952678
H -2.614996 0.787499 1.604596
H -2.635889 1.576246 0.023886
H -6.214694 -1.290808 0.360310
H -6.857894 -0.139323 1.604580
H -8.045778 0.190685 -0.615602
H -6.472981 0.458338 -1.422016
H -7.076762 1.637666 -0.209992


%chk=000239022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239022

0 1
O 0.828452 -0.158460 0.145681
O -0.276087 1.869634 0.654851
O -5.126955 0.077776 1.143540
O -4.221621 -0.619938 -0.892034
N 2.120367 0.596869 0.258967
C 4.480156 0.445412 0.050935
C 3.039586 -1.678667 -0.252019
C 4.768818 1.602249 -0.948066
C 4.647839 1.891928 0.545151
C 4.086217 -2.676701 0.308844
C 4.069534 -2.366259 -1.181982
C 3.137239 -0.220914 0.037313
C -0.303688 0.663182 0.359913
C -1.548811 -0.186737 0.135682
C -2.779947 0.428287 0.824214
C -4.077728 -0.103157 0.241716
C -6.492705 -0.316726 0.672359
C -7.152313 0.832512 -0.094624
H 5.318462 -0.231766 0.240029
H 2.015582 -2.052046 -0.309107
H 5.756119 1.632378 -1.418482
H 3.934771 1.904017 -1.587444
H 3.739828 2.392775 0.888642
H 5.557755 2.125067 1.105435
H 4.904261 -2.280597 0.917007
H 3.700883 -3.641046 0.650390
H 3.680020 -3.118890 -1.872695
H 4.871520 -1.746015 -1.591520
H -1.360969 -1.220251 0.473361
H -1.735865 -0.248948 -0.954435
H -2.772600 0.262766 1.914748
H -2.761404 1.527405 0.684505
H -6.399214 -1.219239 0.043070
H -7.028271 -0.554294 1.605295
H -8.190575 0.557380 -0.358049
H -6.606291 1.045697 -1.028983
H -7.183666 1.749021 0.519391


