%chk=000211981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211981

0 1
O -0.274893 0.468163 -2.978166
O 1.756464 0.508326 -0.051501
N -2.102746 -0.255464 -0.465651
C -3.220874 -1.025055 -1.110632
C -2.239639 0.020569 1.012590
C -4.532970 -0.222807 -0.873083
C -0.731734 -0.690407 -0.856172
C -3.685556 0.293001 1.392576
C -3.371986 -2.460737 -0.567489
C -2.986853 -1.098768 -2.636923
C -4.715579 0.174708 0.554690
C -1.414191 1.287872 1.324881
C -1.742640 -1.143554 1.905175
C -0.028872 0.493111 -1.558162
C 1.504601 0.382092 -1.480940
C 3.068773 0.538870 0.377674
C 3.189600 0.700498 1.784474
C 4.185073 0.419978 -0.452204
C 4.474800 0.737313 2.325048
C 1.979592 0.821550 2.647912
C 5.460556 0.462070 0.127794
C 5.607173 0.618872 1.504182
H -5.396830 -0.812668 -1.232311
H -4.512428 0.702083 -1.490839
H -0.119439 -0.997200 0.028121
H -0.739107 -1.570338 -1.533121
H -3.820983 0.597514 2.428649
H -2.455867 -3.043242 -0.699774
H -3.604383 -2.454188 0.506215
H -4.179319 -2.998448 -1.072355
H -3.896756 -1.404882 -3.162273
H -2.680011 -0.122340 -3.044025
H -2.206021 -1.823289 -2.898409
H -5.739820 0.380963 0.860452
H -1.664792 2.096309 0.627546
H -1.610227 1.652395 2.336881
H -0.327580 1.104262 1.245670
H -0.712804 -1.429136 1.656807
H -1.756226 -0.866218 2.962780
H -2.374411 -2.031929 1.787424
H -0.380086 1.473599 -1.162883
H 1.996532 1.206008 -2.025099
H 1.881680 -0.590478 -1.835135
H -1.255527 0.488392 -3.133882
H 4.086230 0.297796 -1.525554
H 4.602209 0.860488 3.400102
H 2.032495 1.704807 3.297517
H 1.051609 0.914656 2.046430
H 1.859277 -0.060987 3.290334
H 6.339050 0.370876 -0.509509
H 6.598536 0.651093 1.949166


%chk=000211981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211981

0 1
O -0.980718 1.789952 -1.423761
O 2.013607 0.657184 0.400764
N -2.294289 -0.010678 -0.107131
C -2.573560 -1.251631 -0.944615
C -3.374203 0.464239 0.847489
C -3.873625 -0.988488 -1.759055
C -0.903929 0.129178 0.414256
C -4.752623 0.226899 0.248683
C -2.731299 -2.546333 -0.093424
C -1.428567 -1.469471 -1.971418
C -4.989125 -0.408783 -0.922572
C -3.210076 2.002338 1.047885
C -3.337242 -0.211545 2.261623
C -0.191884 1.365564 -0.274262
C 1.217216 1.041306 -0.779272
C 3.364453 0.316475 0.199201
C 4.077614 -0.053468 1.378261
C 3.996474 0.329503 -1.067207
C 5.438264 -0.407473 1.240578
C 3.376027 -0.057415 2.721134
C 5.360245 -0.030653 -1.169898
C 6.086367 -0.400524 -0.018912
H -4.198318 -1.942408 -2.219828
H -3.641818 -0.303003 -2.601203
H -0.892468 0.268030 1.506926
H -0.323291 -0.785601 0.213147
H -5.585049 0.635747 0.837564
H -1.899860 -2.645981 0.628757
H -3.685209 -2.556799 0.460677
H -2.712611 -3.434686 -0.751951
H -1.776709 -2.180158 -2.742886
H -1.152661 -0.521396 -2.465996
H -0.523118 -1.907426 -1.515023
H -6.017931 -0.507476 -1.293687
H -3.284927 2.534796 0.085075
H -3.998991 2.380541 1.723147
H -2.233953 2.246899 1.504229
H -2.414397 0.039331 2.815387
H -4.186807 0.159069 2.864357
H -3.420571 -1.307223 2.196605
H -0.119940 2.198062 0.457040
H 1.657075 1.932477 -1.267741
H 1.184959 0.207484 -1.509720
H -1.854284 1.272535 -1.260904
H 3.445518 0.616959 -1.967258
H 5.998704 -0.693259 2.139062
H 4.068907 -0.351700 3.527937
H 2.962659 0.940311 2.957837
H 2.519019 -0.756756 2.722015
H 5.847476 -0.018849 -2.151332
H 7.142571 -0.679599 -0.095582


