%chk=000286097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286097

0 1
O -1.045812 -1.880069 0.036481
O 0.590448 0.977552 0.002894
O -0.501905 -0.567258 -2.954512
O 2.544108 -2.371604 0.299723
O -4.455992 -1.358298 -1.368615
O 2.855054 0.977509 0.025753
O 2.999215 -1.943059 -1.868186
N -2.791110 -0.308712 -0.171904
N -5.163080 0.097936 0.299260
N -5.779715 1.624864 1.944185
C 0.554170 -0.257229 -0.762850
C -0.726924 -0.151921 -1.624917
C 0.321965 -1.421215 0.220128
C -1.763363 -1.073746 -0.917012
C 1.171874 -2.671474 -0.047202
C -2.431476 0.553513 0.850999
C -4.236443 -0.579245 -0.472560
C 1.826574 1.533913 0.316131
C 1.579199 2.838868 1.009142
C -3.387944 1.212186 1.580047
C 3.393755 -1.965259 -0.725530
C -4.774946 0.960319 1.270476
C 2.569442 3.044648 2.164097
C 4.710666 -1.588301 -0.129238
C 5.871399 -1.946458 -1.065188
C 2.389563 4.413689 2.808944
C 7.202931 -1.455683 -0.508170
H 1.480964 -0.347922 -1.378136
H -1.076834 0.901465 -1.745856
H 0.402973 -1.091760 1.279103
H -2.271314 -1.801692 -1.606626
H 0.905366 -3.493516 0.645342
H 1.098683 -3.026295 -1.091310
H -0.085977 -1.461262 -2.999336
H -1.356897 0.698787 1.049402
H 0.530623 2.905515 1.372211
H 1.679996 3.659281 0.261389
H -3.114947 1.902329 2.368028
H 2.435242 2.247227 2.922736
H 3.609063 2.933602 1.788252
H 4.685205 -0.484629 0.063234
H 4.844060 -2.055356 0.869967
H 5.905611 -3.043533 -1.220813
H 5.690461 -1.504290 -2.068407
H 2.568647 5.228781 2.097169
H 1.380228 4.547831 3.215308
H 3.093947 4.551631 3.639517
H -5.583790 2.158278 2.770700
H -6.746442 1.390089 1.759587
H 7.216795 -0.365634 -0.388457
H 7.425030 -1.897442 0.470127
H 8.029654 -1.718446 -1.179807


%chk=000286097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286097

0 1
O -0.839485 -1.491628 0.928623
O 0.588736 1.145967 0.626777
O 0.065434 -1.063559 -2.311094
O 2.724842 -2.591583 0.326970
O -3.954291 -2.052943 -1.081355
O 2.898024 1.318332 0.927698
O 2.723843 -1.866991 -1.887402
N -2.683875 -0.335788 -0.073699
N -5.117196 -0.235132 -0.157774
N -6.246727 1.557401 0.780959
C 0.808998 -0.123393 -0.127693
C -0.341650 -0.283967 -1.149558
C 0.622123 -1.317059 0.831237
C -1.456531 -1.069550 -0.374121
C 1.232308 -2.648184 0.332200
C -2.645900 0.844911 0.640643
C -3.971788 -0.947715 -0.477160
C 1.753174 1.790138 1.100574
C 1.397260 3.091723 1.792659
C -3.803182 1.526454 0.955151
C 3.355364 -2.178776 -0.842369
C -5.049544 0.932280 0.514261
C 2.502935 3.590467 2.748553
C 4.856834 -2.119994 -0.671071
C 5.632072 -2.277380 -1.998364
C 2.157027 4.964849 3.357084
C 7.148571 -2.078709 -1.798479
H 1.803388 -0.067417 -0.593541
H -0.710403 0.698667 -1.493855
H 0.994738 -1.090102 1.844045
H -1.761815 -1.955466 -0.955820
H 0.991857 -3.444733 1.050823
H 0.859843 -2.917124 -0.671106
H 1.033360 -1.323368 -2.269397
H -1.655462 1.197063 0.942537
H 0.434238 2.964527 2.320616
H 1.215361 3.848607 1.001687
H -3.766971 2.459926 1.520198
H 2.651996 2.847162 3.554802
H 3.459242 3.644382 2.197106
H 5.083795 -1.131393 -0.218707
H 5.162227 -2.876254 0.073517
H 5.436078 -3.281640 -2.420373
H 5.242865 -1.549406 -2.733195
H 2.044546 5.734628 2.570374
H 1.211098 4.926994 3.929604
H 2.952150 5.302608 4.045419
H -6.295112 2.438432 1.284620
H -7.099529 1.102244 0.458435
H 7.371695 -1.064809 -1.416238
H 7.560069 -2.809359 -1.077007
H 7.691369 -2.205835 -2.752095


