%chk=000271402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271402

0 1
O -1.626557 -1.620643 0.063319
O -1.831331 0.153856 -2.538641
O 6.394993 -0.931917 0.314117
O 5.630387 -0.157407 2.182104
N 0.249072 -0.719578 -1.082501
N 5.480944 -0.559104 1.035919
C -0.986791 -0.413272 -0.353645
C -2.027406 0.205230 -1.349558
C 1.520838 -0.678861 -0.527990
C -3.185772 0.884005 -0.716501
C -1.019013 -2.304367 1.202626
C 2.620695 -1.102957 -1.329325
C 1.752262 -0.212756 0.794131
C -3.811600 0.345726 0.417419
C -3.673185 2.066028 -1.297205
C 3.903724 -1.058904 -0.818160
C 3.043205 -0.171585 1.294422
C 4.124078 -0.597455 0.498169
C -1.954268 -3.471686 1.447195
C -4.911535 0.998506 0.977843
C -4.767187 2.719858 -0.725938
C -5.385282 2.187026 0.410678
H -0.796464 0.260220 0.517043
H 0.122979 -1.100375 -2.026824
H -0.002895 -2.626195 0.914216
H -0.971303 -1.604144 2.053065
H 2.451716 -1.456207 -2.345066
H 0.924658 0.126987 1.411466
H -3.445932 -0.593883 0.845763
H -3.197348 2.464891 -2.195922
H 4.762140 -1.380414 -1.421045
H 3.239193 0.189690 2.311561
H -1.548252 -4.157874 2.199974
H -2.116560 -4.045271 0.521799
H -2.943628 -3.139448 1.785939
H -5.403047 0.580129 1.855230
H -5.142933 3.640844 -1.170610
H -6.241597 2.697009 0.853033


%chk=000271402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271402

0 1
O -1.771165 -1.614945 0.145400
O -1.654921 0.348187 -2.450048
O 6.540847 -0.730614 0.137819
O 5.782516 -0.463814 2.277446
N 0.238893 -0.690648 -0.937922
N 5.583546 -0.606688 1.003627
C -0.991667 -0.417359 -0.238611
C -1.954968 0.323913 -1.220656
C 1.530729 -0.671241 -0.421431
C -3.175907 0.978282 -0.683647
C -1.092191 -2.496713 1.124470
C 2.630107 -0.802157 -1.329471
C 1.811815 -0.526129 0.973979
C -3.569800 0.859589 0.677882
C -3.961414 1.765039 -1.573020
C 3.951222 -0.784097 -0.870064
C 3.135284 -0.498866 1.435495
C 4.201608 -0.629541 0.515853
C -2.022292 -3.681370 1.376174
C -4.724324 1.523634 1.139800
C -5.113144 2.426502 -1.108230
C -5.495787 2.309259 0.250855
H -0.789874 0.196701 0.664703
H 0.120756 -0.726359 -1.958915
H -0.119601 -2.828876 0.711185
H -0.902314 -1.927733 2.061975
H 2.428152 -0.912880 -2.401041
H 0.998373 -0.437475 1.698879
H -2.998835 0.220834 1.357885
H -3.644111 1.841658 -2.618165
H 4.796129 -0.881993 -1.556628
H 3.363796 -0.384618 2.498536
H -1.565849 -4.375367 2.105167
H -2.208379 -4.231073 0.438005
H -2.992820 -3.340505 1.775951
H -5.029387 1.425429 2.186949
H -5.712202 3.032759 -1.795816
H -6.391819 2.824978 0.613729


