%chk=000296023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296023

0 1
O 1.378895 2.603088 0.799453
O -1.767276 2.046731 0.558432
O 1.081582 -0.256866 -1.178467
O -3.136762 -0.757493 -0.431135
O 2.941576 -2.679495 0.523217
N -1.469215 -3.653763 -0.513646
C 0.147583 3.275203 1.112832
C -0.906047 3.080579 0.020559
C 1.295761 1.157484 0.759720
C -2.858370 1.673417 -0.318773
C 1.923641 0.747197 -0.577634
C -3.440929 0.416971 0.334808
C 1.606577 -1.598560 -1.208668
C -1.750593 -1.191339 -0.345969
C 1.610354 -2.264145 0.169246
C -1.701120 -2.398293 -1.288133
C 3.773075 -1.646166 1.078698
H -0.230806 2.925930 2.092753
H 0.483869 4.326497 1.187370
H -1.501493 3.990990 -0.157169
H -0.456429 2.729206 -0.925810
H 1.868842 0.810455 1.634619
H 0.247134 0.805030 0.829719
H -3.578699 2.507328 -0.351520
H -2.478736 1.463680 -1.334598
H 2.964100 0.391351 -0.466650
H 1.893915 1.587741 -1.298907
H -4.546839 0.416666 0.320823
H -3.076342 0.308604 1.374210
H 2.609437 -1.609412 -1.668078
H 0.875588 -2.084512 -1.893421
H -1.517762 -1.440804 0.702813
H -1.084456 -0.371016 -0.681854
H 1.066715 -3.234684 0.158011
H 1.168141 -1.620456 0.944837
H -2.633547 -2.413128 -1.899896
H -0.845546 -2.280698 -1.998804
H -2.181185 -3.759824 0.206170
H -1.555169 -4.461028 -1.126029
H 4.745521 -2.144221 1.173801
H 3.395085 -1.345139 2.060013
H 3.840330 -0.784905 0.400357


%chk=000296023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296023

0 1
O 1.059833 2.699482 -0.567531
O -1.673024 1.860834 0.636735
O 1.689415 -0.803472 -1.655190
O -3.217937 -0.795798 -0.280123
O 2.530610 -3.062213 1.266181
N -1.746451 -3.326321 -0.723620
C 0.225268 3.387247 0.422307
C -1.280789 3.207032 0.199648
C 1.224401 1.256299 -0.305440
C -3.116258 1.605014 0.506072
C 1.859114 0.654304 -1.570798
C -3.379515 0.130402 0.840636
C 2.544972 -1.599429 -0.756444
C -1.838067 -0.872145 -0.808713
C 1.755336 -2.094282 0.478243
C -1.718004 -2.154868 -1.625230
C 3.585980 -2.453279 2.075552
H 0.485442 3.068591 1.454407
H 0.474420 4.457560 0.305995
H -1.833613 3.974648 0.790100
H -1.520613 3.349098 -0.876496
H 1.867729 1.113849 0.590969
H 0.243667 0.788340 -0.121258
H -3.671162 2.259333 1.216290
H -3.466368 1.829133 -0.525184
H 2.932380 0.926150 -1.650511
H 1.328322 1.053111 -2.451510
H -4.433192 0.005717 1.147106
H -2.719623 -0.157738 1.687960
H 3.440574 -1.011763 -0.462409
H 2.877702 -2.477806 -1.338368
H -1.118282 -0.901666 0.032964
H -1.625904 0.017230 -1.435230
H 0.850346 -2.636919 0.153801
H 1.444690 -1.238132 1.118111
H -2.520118 -2.154396 -2.401352
H -0.741837 -2.122274 -2.143538
H -2.596370 -3.346563 -0.149059
H -1.580117 -4.222193 -1.192673
H 3.962659 -3.253041 2.733279
H 3.188160 -1.623571 2.699787
H 4.426622 -2.067307 1.461830


