%chk=000289277.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289277

0 1
O -4.931924 1.337386 -0.734369
O -5.721366 -0.170352 0.816306
O -1.971344 -2.678790 -1.462655
O 4.528547 1.737561 -0.448809
O 6.182459 -0.588087 0.181640
N -0.229895 0.338102 0.757954
C 0.506625 -0.946189 0.499125
C -4.500391 0.372922 0.255564
C -1.600345 0.364004 0.423755
C -2.219808 -0.661454 -0.231944
C -3.704791 -0.755218 -0.401651
C -3.788097 1.128059 1.376200
C -2.388667 1.550524 0.926909
C 0.048460 -1.613947 -0.807092
C 0.555627 1.604484 0.717192
C 2.013639 -0.793253 0.459947
C -1.464918 -1.745757 -0.871844
C 1.692560 1.556187 -0.315626
C 2.592827 0.406970 0.013406
C -6.299261 1.073510 -1.117734
C -6.830370 0.080825 -0.074217
C 2.827405 -1.876888 0.819496
C 3.990907 0.509772 -0.070819
C 4.216875 -1.775763 0.749828
C 4.802442 -0.580924 0.308504
C 5.196986 1.697696 -1.741586
C 6.868086 0.454244 0.930069
H 0.221858 -1.609544 1.367470
H -3.945857 -0.793663 -1.488139
H -4.058410 -1.731627 0.006517
H -3.742027 0.475453 2.272746
H -4.387605 2.013455 1.666975
H -1.878632 2.061369 1.768552
H -2.479065 2.297273 0.104187
H 0.517698 -2.612862 -0.916445
H 0.389796 -1.044455 -1.695493
H 0.983422 1.750853 1.738634
H -0.097320 2.477414 0.509618
H 2.258312 2.513414 -0.313476
H 1.291542 1.445631 -1.344413
H -6.276976 0.669624 -2.142979
H -6.794265 2.057745 -1.102365
H -7.629564 0.482490 0.569374
H -7.128445 -0.892259 -0.497649
H 2.376029 -2.808909 1.161935
H 4.859426 -2.609663 1.030695
H 4.459959 1.511511 -2.526790
H 5.981633 0.932404 -1.742685
H 5.616301 2.706337 -1.816729
H 6.792972 0.230831 1.997815
H 6.453130 1.442391 0.700263
H 7.898422 0.353461 0.572532


%chk=000289277-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289277

0 1
O -4.572295 1.238768 -0.826508
O -5.985303 0.302155 0.772108
O -2.269648 -2.847510 -1.081591
O 4.550508 1.843536 -0.430631
O 6.188546 -0.544980 -0.173236
N -0.270662 0.401351 0.587393
C 0.454607 -0.894968 0.448919
C -4.559154 0.457329 0.431676
C -1.658832 0.346138 0.610469
C -2.354388 -0.790581 0.169745
C -3.867927 -0.903847 0.261963
C -3.870384 1.296457 1.500888
C -2.405838 1.581966 1.103670
C -0.151533 -1.674176 -0.741555
C 0.510053 1.613381 0.905279
C 1.966259 -0.743806 0.314860
C -1.664051 -1.851719 -0.554597
C 1.706717 1.748971 -0.058523
C 2.569838 0.504560 0.017369
C -5.730926 0.736406 -1.593285
C -6.708492 0.166300 -0.513391
C 2.775782 -1.900287 0.437808
C 3.975528 0.576897 -0.159738
C 4.172881 -1.822507 0.281082
C 4.783626 -0.582482 -0.003780
C 5.215448 1.949992 -1.751569
C 6.910844 0.264100 0.836845
H 0.233879 -1.491125 1.366349
H -4.231966 -1.431581 -0.639128
H -4.162248 -1.538133 1.121233
H -3.913152 0.740339 2.454895
H -4.423011 2.242770 1.627986
H -1.885656 2.031057 1.969957
H -2.406551 2.339346 0.293745
H 0.316071 -2.668248 -0.837884
H 0.034548 -1.125863 -1.687318
H 0.886217 1.577040 1.950407
H -0.139274 2.496081 0.808693
H 2.306322 2.638616 0.199524
H 1.322863 1.901077 -1.086855
H -5.412548 -0.046797 -2.307320
H -6.141317 1.596538 -2.145951
H -7.639250 0.748631 -0.416334
H -6.952535 -0.895284 -0.706473
H 2.312710 -2.866386 0.670204
H 4.811814 -2.704659 0.386134
H 4.476267 1.809920 -2.562958
H 6.021182 1.200331 -1.845537
H 5.627608 2.969809 -1.790804
H 6.779581 -0.179270 1.842296
H 6.551066 1.308844 0.837398
H 7.970780 0.219798 0.543769


