%chk=000202377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202377

0 1
O 1.922556 1.237557 0.663509
O 1.813805 -2.606973 -0.511288
N -2.902167 -1.566422 -0.432179
N 0.719604 -0.632187 -0.818378
C -3.118276 -3.047351 -0.560221
C -3.974561 -1.096190 0.508219
C -3.838379 -3.543967 0.713469
C -4.388282 -2.283517 1.405826
C -1.530631 -1.235306 0.069839
C -0.565928 -1.293952 -1.135432
C -1.991901 2.791738 0.398437
C -0.494695 2.718484 0.073252
C -2.848208 2.376152 -0.804721
C 0.363341 2.849908 1.337860
C -4.345538 2.566737 -0.523817
C 1.837813 -1.382351 -0.461196
C 1.848463 2.648564 1.050559
C 3.087662 -0.634190 -0.124651
C 3.147704 0.670422 0.413153
C -5.199960 2.060059 -1.683523
C 4.300060 -1.305282 -0.351682
C 4.371616 1.301384 0.683978
C 5.525865 -0.692062 -0.084290
C 5.556577 0.608484 0.428476
H -2.173438 -3.591697 -0.741178
H -3.756025 -3.197138 -1.457024
H -4.825640 -0.768029 -0.127073
H -3.657670 -0.216876 1.096285
H -4.643948 -4.252000 0.462751
H -3.141900 -4.085829 1.374695
H -3.971280 -2.178057 2.420626
H -5.482580 -2.331477 1.521272
H -1.538701 -0.209402 0.498560
H -1.175344 -1.908567 0.878181
H -1.017659 -0.786734 -2.018112
H -0.375500 -2.353325 -1.430588
H 0.676091 0.380044 -0.644158
H -2.255881 3.818893 0.716268
H -2.228167 2.140778 1.262727
H -0.257704 1.753301 -0.428177
H -0.227491 3.505868 -0.657069
H -2.650900 1.314024 -1.062232
H -2.559502 2.958685 -1.700015
H 0.212278 3.841734 1.807625
H 0.035886 2.100094 2.090076
H -4.626498 2.033873 0.405453
H -4.562175 3.636540 -0.337459
H 2.473014 2.804481 1.946438
H 2.219727 3.251272 0.205195
H -5.013088 0.997231 -1.885310
H -6.268251 2.173133 -1.470973
H -4.988856 2.606200 -2.609840
H 4.264490 -2.329094 -0.743967
H 4.409918 2.305223 1.091931
H 6.453265 -1.227943 -0.273096
H 6.514287 1.088453 0.634989


%chk=000202377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202377

0 1
O 1.541822 1.354826 0.556458
O 1.291067 -2.700450 -0.736906
N -2.970050 -2.930522 0.217989
N 0.111057 -0.760627 -0.252965
C -2.619979 -4.262229 -0.369846
C -3.909577 -3.277160 1.321283
C -2.607324 -5.299115 0.816472
C -3.336715 -4.568565 1.990984
C -1.774364 -2.157572 0.648354
C -1.184369 -1.381709 -0.557417
C -1.962064 3.987283 -0.069438
C -0.544338 3.395560 -0.233096
C -2.757624 4.039687 -1.393288
C 0.225677 3.321299 1.104807
C -4.170946 4.644119 -1.231147
C 1.283978 -1.477360 -0.365439
C 1.646975 2.765863 0.987001
C 2.580230 -0.757072 -0.051042
C 2.720809 0.598711 0.381613
C -4.964122 4.683156 -2.555266
C 3.761835 -1.522287 -0.218298
C 4.003637 1.148799 0.624379
C 5.041324 -0.985259 0.023261
C 5.158354 0.357580 0.444852
H -1.651080 -4.209294 -0.894142
H -3.395885 -4.540609 -1.107430
H -4.902389 -3.494274 0.879625
H -4.026405 -2.428908 2.017504
H -3.130649 -6.227970 0.527728
H -1.575848 -5.574264 1.096328
H -2.618029 -4.297407 2.785757
H -4.127680 -5.187412 2.450412
H -2.083238 -1.439924 1.431953
H -0.968271 -2.796270 1.077404
H -1.898706 -0.603923 -0.880428
H -1.040329 -2.085968 -1.394982
H 0.176113 0.210347 0.072836
H -1.886846 5.011147 0.353991
H -2.527832 3.385302 0.672388
H -0.616190 2.383897 -0.679425
H 0.031452 4.011275 -0.955038
H -2.844592 3.014718 -1.810656
H -2.190462 4.632056 -2.141473
H 0.303724 4.338411 1.540788
H -0.339518 2.708324 1.834415
H -4.734491 4.055156 -0.478873
H -4.083430 5.670891 -0.820099
H 2.170931 2.804995 1.963022
H 2.236443 3.329086 0.234841
H -5.095340 3.665411 -2.968513
H -5.968842 5.121879 -2.413040
H -4.435855 5.287886 -3.316516
H 3.623948 -2.557074 -0.549632
H 4.112856 2.186163 0.950958
H 5.934061 -1.602863 -0.116883
H 6.144383 0.795656 0.635873


