%chk=000191664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191664

0 1
O -0.970465 -0.007337 2.115245
O 0.805781 -1.629864 -1.645302
O -1.531519 3.309644 -0.838463
N 0.992333 -1.209473 0.581397
N -1.334621 1.695578 0.632860
N -0.871991 2.409186 -0.425730
C 0.755555 0.231257 0.407713
C 1.881404 1.087149 1.024297
C -0.561055 0.573514 1.137361
C 3.214558 0.786796 0.392749
C 1.291428 -3.542234 -0.194398
C 1.014614 -2.072107 -0.531337
C -2.663064 1.968289 1.280013
C -0.054623 -4.252812 -0.043443
C 2.140373 -4.147562 -1.311636
C 4.237201 0.201337 1.153080
C 3.442676 1.101317 -0.956074
C -3.748457 1.171578 0.602554
C 5.478722 -0.064505 0.567420
C 4.683863 0.829579 -1.535907
C 5.704682 0.247837 -0.776075
C -4.447052 1.716050 -0.484173
C -4.055238 -0.118434 1.059093
C -5.461435 0.977132 -1.099179
C -5.070756 -0.851897 0.440538
C -5.776523 -0.304615 -0.636301
H 0.668277 0.445811 -0.703035
H 1.924380 0.936544 2.123008
H 1.643322 2.165114 0.882733
H 1.138059 -1.537476 1.530893
H 1.857970 -3.623410 0.766781
H -2.869040 3.062504 1.222759
H -2.592685 1.709410 2.363652
H -0.645588 -4.194993 -0.968585
H 0.084248 -5.316329 0.183748
H -0.660121 -3.817934 0.760423
H 1.667515 -4.000077 -2.294851
H 2.281459 -5.223972 -1.168993
H 3.131526 -3.680990 -1.363722
H 4.070745 -0.046587 2.198691
H 2.651439 1.550248 -1.555603
H 6.271266 -0.516612 1.161418
H 4.855341 1.070252 -2.584460
H 6.670814 0.039176 -1.230556
H -4.193036 2.709493 -0.854428
H -3.492586 -0.548548 1.889642
H -6.004389 1.400171 -1.942951
H -5.310786 -1.852396 0.796365
H -6.567522 -0.877600 -1.116535


%chk=000191664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191664

0 1
O -1.053641 -0.258737 2.056631
O 0.998217 -1.790247 -1.804960
O -1.598589 3.264558 -0.815463
N 0.929589 -1.336677 0.476490
N -1.411328 1.548909 0.643445
N -0.900226 2.258441 -0.479972
C 0.628355 0.081558 0.295288
C 1.772470 1.024252 0.809491
C -0.664197 0.409028 1.061660
C 3.156048 0.674353 0.276163
C 1.394916 -3.658265 -0.251599
C 1.086093 -2.195623 -0.604511
C -2.661474 1.967580 1.350349
C 0.344259 -4.585457 -0.910413
C 2.827584 -3.999613 -0.739367
C 4.262784 0.644909 1.162447
C 3.382330 0.424358 -1.102245
C -3.920655 1.348559 0.752507
C 5.568044 0.382130 0.687439
C 4.684620 0.159375 -1.579012
C 5.783509 0.139520 -0.688355
C -4.666661 2.044498 -0.232197
C -4.361508 0.072427 1.187314
C -5.839268 1.472150 -0.773605
C -5.533700 -0.498657 0.644589
C -6.275361 0.199853 -0.336798
H 0.482596 0.236929 -0.787184
H 1.789250 1.002106 1.916701
H 1.502399 2.055592 0.507923
H 0.918357 -1.711337 1.427112
H 1.352743 -3.787515 0.849440
H -2.692835 3.068740 1.283510
H -2.527581 1.657682 2.399035
H 0.337980 -4.424026 -2.002421
H 0.588084 -5.644615 -0.710066
H -0.673215 -4.385113 -0.528124
H 2.891568 -3.861336 -1.832921
H 3.072216 -5.050706 -0.501214
H 3.584529 -3.347676 -0.266945
H 4.102171 0.831902 2.231971
H 2.542361 0.410666 -1.805537
H 6.411022 0.366039 1.387658
H 4.839428 -0.036338 -2.645857
H 6.793257 -0.065561 -1.061396
H -4.323820 3.027483 -0.574539
H -3.781040 -0.467779 1.944276
H -6.410438 2.016230 -1.533906
H -5.869227 -1.483847 0.986937
H -7.185017 -0.243500 -0.757068


