%chk=000247079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247079

0 1
O 2.467680 1.115407 1.977579
O 0.991128 2.549520 -0.324350
O 1.183962 1.264982 -2.154800
O 3.362385 -2.476529 -0.793957
N 1.471629 -1.075906 -0.651398
N 3.245156 -0.695409 0.746014
C 1.146095 0.190750 0.057875
C -0.188559 0.111772 0.815775
C -1.396131 -0.099187 -0.103898
C -2.704680 -0.067056 0.698002
C 2.332485 0.336609 1.077653
C -3.919780 -0.289112 -0.212195
C 1.123104 1.348697 -0.952479
C 2.775065 -1.537339 -0.326535
C -5.231035 -0.254484 0.585671
C -6.444047 -0.475835 -0.314717
H -0.308130 1.049726 1.405176
H -0.138034 -0.713655 1.557916
H -1.425739 0.676182 -0.894385
H -1.306307 -1.070218 -0.631338
H -2.802682 0.902046 1.225512
H -2.682971 -0.841179 1.489983
H 1.073477 -1.239598 -1.576751
H -3.828055 -1.259213 -0.738086
H -3.945479 0.481433 -1.006818
H 4.113471 -0.875155 1.246585
H -5.209912 -1.026644 1.379734
H -5.327903 0.716245 1.110477
H -7.375358 -0.449732 0.262528
H -6.400534 -1.446946 -0.821088
H -6.518532 0.294673 -1.090597
H 0.969134 3.319952 -0.963987


%chk=000247079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247079

0 1
O 2.490545 1.234813 1.934508
O 0.872120 2.569823 -0.403285
O 1.454688 1.247480 -2.223274
O 3.358330 -2.605818 -0.658416
N 1.553412 -1.047772 -0.659974
N 3.210250 -0.731625 0.820511
C 1.197282 0.206237 0.015552
C -0.157405 0.153094 0.787057
C -1.388252 -0.026207 -0.125345
C -2.701892 -0.099320 0.686337
C 2.371021 0.356663 1.055568
C -3.955877 -0.252092 -0.203286
C 1.205826 1.364460 -1.004899
C 2.763275 -1.589241 -0.239411
C -5.270008 -0.328868 0.607159
C -6.520602 -0.471305 -0.286852
H -0.238077 1.087476 1.371147
H -0.096421 -0.688048 1.504042
H -1.453591 0.816821 -0.843371
H -1.283297 -0.953183 -0.725651
H -2.799993 0.816351 1.305490
H -2.648469 -0.951486 1.395252
H 1.143508 -1.328622 -1.549950
H -3.857810 -1.165669 -0.826371
H -4.012264 0.602036 -0.910149
H 4.061056 -0.925701 1.349335
H -5.215713 -1.186326 1.308568
H -5.364482 0.580704 1.234894
H -7.445070 -0.527477 0.316625
H -6.464754 -1.387430 -0.904776
H -6.617594 0.390542 -0.973866
H 0.911160 3.304485 -1.074068


