%chk=000267046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267046

0 1
O 2.336518 4.849585 -0.462125
O -2.251246 3.734128 -0.511354
O 4.420047 -3.370243 1.074913
O -3.799127 -4.670273 -0.980304
O 1.755502 -3.588255 0.802478
O -2.050412 -4.712589 1.055394
N 0.874557 3.169613 -1.136062
N -1.371906 2.398099 1.164762
N 1.701317 2.161674 -0.714538
N -1.892103 1.263435 0.594616
C -0.556405 5.933257 0.179961
C 0.103558 5.487039 -1.132546
C -0.849072 4.788631 1.161557
C 1.248163 4.524125 -0.868158
C -1.582027 3.640975 0.491902
C 2.182948 -0.157343 -0.366013
C -2.274239 -1.101591 0.552299
C 1.580045 -1.385302 -0.018365
C -1.886206 -2.358659 1.066925
C 3.565641 0.012080 -0.237169
C -3.188181 -1.026182 -0.504675
C 1.307905 0.924386 -0.858815
C -1.698026 0.108106 1.172372
C 3.789532 -2.239926 0.586401
C -3.361527 -3.427161 -0.564497
C 2.380623 -2.416652 0.459512
C -2.432003 -3.511822 0.514782
C 4.377568 -1.030350 0.237338
C -3.734452 -2.188728 -1.071299
C 5.860093 -3.316397 1.213132
C -4.679582 -4.712437 -2.129295
H -1.503212 6.459125 -0.067618
H 0.094855 6.674848 0.689091
H 0.507249 6.372621 -1.668965
H -0.671067 5.061417 -1.808430
H 0.105800 4.453301 1.622760
H -1.467330 5.172709 2.001602
H -0.047725 2.963789 -1.555987
H -0.791417 2.352408 2.010855
H 0.504977 -1.543813 -0.114672
H -1.165752 -2.450551 1.880196
H 4.021782 0.969409 -0.501865
H -3.486268 -0.050341 -0.898055
H 0.356615 0.591610 -1.305147
H -1.133812 -0.065621 2.101942
H 5.449233 -0.874995 0.326781
H -4.441437 -2.102311 -1.891978
H 2.415666 -4.266257 1.117988
H -2.458927 -5.473546 0.555643
H 6.141422 -2.544522 1.935670
H 6.328212 -3.153510 0.237790
H 6.085572 -4.319414 1.597828
H -4.180775 -4.287185 -3.005239
H -5.618637 -4.198678 -1.902946
H -4.838527 -5.792017 -2.249274


%chk=000267046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267046

0 1
O 2.240386 4.767890 0.397308
O -2.138678 4.075525 -0.865303
O 3.320457 -4.126444 -0.138358
O -2.395659 -4.776850 -0.092039
O 1.050280 -3.859440 -1.514816
O -2.025629 -4.131228 2.478282
N 0.940782 3.327341 -0.941126
N -1.803365 2.936414 1.155760
N 1.614593 2.166020 -0.593020
N -2.117902 1.687241 0.635149
C -0.528207 6.326393 0.110259
C 0.418543 5.714969 -0.966637
C -1.195591 5.304155 1.065525
C 1.305945 4.585322 -0.429082
C -1.770139 4.077233 0.344063
C 1.727958 -0.258194 -0.778715
C -2.272321 -0.705778 1.028476
C 1.099674 -1.435371 -1.276485
C -2.123347 -1.758833 1.974834
C 2.937974 -0.371171 -0.040247
C -2.528911 -1.018787 -0.335008
C 1.099989 1.039631 -1.048249
C -2.083798 0.674479 1.478765
C 2.879749 -2.795647 -0.293536
C -2.402097 -3.397814 0.178992
C 1.668220 -2.692347 -1.034264
C -2.192823 -3.094619 1.555686
C 3.513078 -1.635488 0.201881
C -2.589547 -2.360423 -0.759444
C 4.550171 -4.352791 0.624521
C -2.263222 -5.188000 -1.497714
H -1.308001 6.900647 -0.421473
H 0.039181 7.038217 0.737009
H 1.091276 6.510767 -1.333937
H -0.190234 5.363660 -1.816944
H -0.455749 4.975136 1.821374
H -2.012988 5.812220 1.615397
H 0.080446 3.274804 -1.511981
H -1.470019 3.019065 2.128940
H 0.161678 -1.378166 -1.837504
H -1.923980 -1.549912 3.031420
H 3.411574 0.541386 0.333238
H -2.660745 -0.198543 -1.046940
H 0.168212 1.020958 -1.649170
H -1.857712 0.815616 2.556322
H 4.445293 -1.707912 0.770440
H -2.765419 -2.591722 -1.814365
H 1.608001 -4.633741 -1.233580
H -2.073904 -4.994110 1.986066
H 4.441547 -3.988023 1.663350
H 5.411716 -3.855745 0.139864
H 4.699027 -5.442341 0.624379
H -1.363430 -4.725040 -1.943131
H -3.168864 -4.918090 -2.072749
H -2.159473 -6.282821 -1.470384


