%chk=000184336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184336

0 1
O 1.249185 0.374159 0.656508
O 2.715937 0.538845 2.359949
O -3.325178 -0.529975 -0.387754
N 5.570332 -0.813357 -1.300370
N 5.818827 -0.441000 -2.658657
N 1.872359 3.285597 -0.851567
C 3.589874 -1.802645 -0.065022
C 2.135571 -2.257943 -0.182521
C 4.123387 -0.669374 -0.879722
C 2.615394 -1.519972 1.089359
C 5.187461 0.297162 -0.342079
C 1.188013 -1.576529 -1.134283
C 1.850575 -3.734816 -0.021647
C 5.126588 1.732364 -0.801203
C 5.741808 0.121533 1.050349
C 2.265287 -0.136736 1.463982
C 0.771486 1.720297 0.942243
C -0.738692 1.690579 0.822998
C 1.381505 2.599962 -0.064382
C -1.388311 0.573066 0.301459
C -1.470564 2.807062 1.260987
C -2.790504 0.598115 0.224871
C -2.864546 2.802907 1.167019
C -3.545267 1.697458 0.647437
C -4.640376 -0.917692 -0.104135
C -5.330677 -1.438820 -1.207461
C -5.179778 -0.893301 1.185926
C -6.609671 -1.955376 -0.994888
C -6.465098 -1.412371 1.367327
C -7.178207 -1.939445 0.285321
H 4.353822 -2.576096 0.126342
H 3.396077 -0.265387 -1.608782
H 2.738137 -2.125250 2.005782
H 0.216417 -1.369037 -0.647837
H 1.569624 -0.600895 -1.478366
H 0.996042 -2.183972 -2.026278
H 1.985649 -4.263304 -0.975302
H 2.504111 -4.223758 0.710007
H 0.815105 -3.903545 0.303306
H 4.705389 1.838716 -1.812728
H 6.123628 2.189111 -0.823818
H 4.502484 2.336329 -0.129250
H 5.985353 -0.925955 1.273278
H 5.010872 0.456324 1.804100
H 6.660844 0.701942 1.193812
H 5.857304 -1.316069 -3.196314
H 6.759329 -0.032383 -2.704040
H 1.103696 2.017187 1.978922
H -0.826729 -0.305613 -0.045598
H -0.958005 3.677634 1.665880
H -3.431344 3.674023 1.499329
H -4.629806 1.701228 0.560723
H -4.866592 -1.438651 -2.191352
H -4.611267 -0.496461 2.023485
H -7.169535 -2.370271 -1.833333
H -6.910414 -1.408498 2.362367
H -8.177913 -2.341103 0.438321


%chk=000184336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184336

0 1
O 1.633261 0.732567 0.813490
O 2.105967 0.998192 3.085862
O -3.630046 0.906804 -0.997699
N 4.924154 -1.212053 -1.576061
N 4.400956 -1.308647 -2.980471
N 1.348228 3.409014 -1.270644
C 3.755784 -1.468498 0.677841
C 2.543776 -2.244380 1.188756
C 3.798376 -0.739865 -0.632648
C 2.999846 -0.938407 1.942548
C 4.888151 0.245276 -1.027642
C 1.236947 -2.275650 0.400405
C 2.818145 -3.538780 1.957445
C 4.509701 1.389951 -1.957491
C 6.049932 0.534750 -0.085750
C 2.233375 0.322130 2.033043
C 0.800383 1.993084 0.917537
C -0.669650 1.637467 1.087757
C 1.100248 2.765185 -0.298604
C -1.502478 1.405284 -0.029570
C -1.184706 1.503267 2.401977
C -2.848458 1.035767 0.172987
C -2.536005 1.139712 2.585836
C -3.380105 0.905851 1.478283
C -4.742879 0.024349 -1.046407
C -5.836537 0.450928 -1.829936
C -4.728738 -1.254400 -0.442240
C -6.939179 -0.414458 -2.002785
C -5.841399 -2.106605 -0.620172
C -6.949433 -1.692767 -1.396270
H 4.725924 -1.910673 0.935701
H 2.839714 -0.560024 -1.132677
H 3.507818 -1.122061 2.895043
H 0.392846 -2.525091 1.070416
H 1.005221 -1.317440 -0.087109
H 1.293261 -3.060445 -0.377597
H 2.876235 -4.392650 1.255981
H 3.773154 -3.494316 2.511889
H 2.010258 -3.747922 2.683423
H 3.773691 1.059513 -2.708180
H 5.401151 1.776818 -2.487462
H 4.071646 2.223873 -1.379815
H 6.354273 -0.361917 0.478689
H 5.774598 1.327339 0.635256
H 6.927460 0.886734 -0.659439
H 4.044456 -2.273985 -3.075484
H 5.223660 -1.200227 -3.596947
H 1.162608 2.540821 1.809764
H -1.131418 1.515110 -1.053830
H -0.529604 1.674186 3.262539
H -2.942702 1.048111 3.598428
H -4.432313 0.643765 1.624383
H -5.805102 1.442205 -2.291717
H -3.863234 -1.583054 0.141642
H -7.790105 -0.087776 -2.610334
H -5.835109 -3.099890 -0.157857
H -7.807005 -2.360073 -1.531384


