%chk=000256069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256069

0 1
O 1.103278 1.673907 -2.655079
O -0.584595 1.709653 -1.310812
O 5.446438 -0.266154 1.328490
O 5.372571 0.838011 -0.530916
N -0.586781 -1.104139 -0.027502
N 0.532802 1.328815 -1.632388
N 4.845837 0.223210 0.383080
C -3.520546 -0.838828 0.176224
C -2.716210 -0.210886 -0.977436
C -2.612302 -0.985887 1.416250
C -1.431884 -1.001107 -1.255127
C -1.336014 -1.771888 1.085244
C -4.757190 0.010339 0.523267
C -5.841598 -0.069320 -0.560342
C 0.608518 -0.479156 0.183588
C -7.073923 0.748687 -0.182023
C 1.246401 0.439106 -0.722068
C 1.396183 -0.883680 1.331127
C 2.642662 0.619489 -0.679778
C 2.740917 -0.648930 1.397446
C 3.394696 0.057039 0.345107
H -3.861130 -1.856915 -0.135136
H -2.464385 0.847975 -0.740981
H -3.329541 -0.162734 -1.897524
H -3.157541 -1.498193 2.231766
H -2.349374 0.017117 1.809205
H -1.677136 -2.047261 -1.562629
H -0.869812 -0.568633 -2.105817
H -0.697895 -1.871975 1.994104
H -1.581963 -2.808251 0.756529
H -4.463479 1.066710 0.681078
H -5.181523 -0.324978 1.489883
H -6.131895 -1.124798 -0.729213
H -5.438305 0.293727 -1.526735
H -7.528219 0.393390 0.749770
H -6.829529 1.808580 -0.043777
H -7.841656 0.691397 -0.962480
H 0.898979 -1.414314 2.147085
H 3.134946 1.235878 -1.453825
H 3.343599 -0.995701 2.247342


%chk=000256069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256069

0 1
O 1.306865 2.000235 -2.478614
O -0.458692 1.925298 -1.040926
O 5.717932 -0.740202 1.057994
O 5.582893 0.718365 -0.698807
N -0.630659 -0.713076 0.193557
N 0.700274 1.510970 -1.446263
N 5.044167 -0.054372 0.188389
C -3.600555 -0.729929 0.251199
C -2.805232 -0.101375 -0.920053
C -2.731301 -0.667933 1.529802
C -1.422506 -0.762789 -1.065955
C -1.341682 -1.321442 1.346250
C -4.972237 -0.047184 0.478546
C -5.965820 -0.192988 -0.697316
C 0.724702 -0.442004 0.235263
C -7.350176 0.411391 -0.377906
C 1.406123 0.487265 -0.645230
C 1.570639 -1.147011 1.165881
C 2.811181 0.587179 -0.680369
C 2.958131 -1.020201 1.164815
C 3.580787 -0.167048 0.216599
H -3.784552 -1.801889 0.009276
H -2.673117 0.982258 -0.750127
H -3.349621 -0.228926 -1.873881
H -3.244447 -1.178457 2.368160
H -2.589788 0.390713 1.823283
H -1.561287 -1.840933 -1.309956
H -0.854888 -0.317353 -1.893143
H -0.751114 -1.167524 2.263206
H -1.457939 -2.416293 1.185010
H -4.811090 1.030751 0.690708
H -5.437534 -0.477817 1.390355
H -6.079553 -1.267848 -0.947891
H -5.555414 0.298439 -1.601193
H -7.808807 -0.085411 0.497961
H -7.267286 1.489822 -0.145471
H -8.045349 0.302923 -1.230231
H 1.116978 -1.867601 1.849930
H 3.290195 1.284173 -1.372821
H 3.583181 -1.592877 1.854969


