%chk=000289155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289155

0 1
O 0.372731 -0.048849 0.213676
O -0.128090 2.163726 0.111618
O -2.894688 -3.477398 0.342396
O -5.030900 3.186066 -0.220385
O -5.012182 -3.032118 0.223717
O -6.489802 1.584098 -0.167022
N -3.838616 -2.714066 0.250476
N -5.352243 2.015298 -0.149254
C 3.872365 0.106484 -1.002049
C 3.563780 -1.305077 -0.390780
C 2.554703 -1.027464 0.781329
C 2.360370 0.450183 -1.196393
C 1.816398 0.250323 0.238813
C 4.788374 1.115518 -0.272998
C 2.784521 -1.923584 -1.590752
C 1.896984 -0.744250 -2.079193
C 3.253408 -0.738699 2.127377
C 4.486754 1.320173 1.229128
C 4.569843 0.037224 2.056768
C 1.577599 -2.184493 1.028579
C 4.646640 2.486520 -0.972854
C 6.248072 0.633603 -0.436264
C -0.484948 1.008680 0.139591
C -1.894269 0.517674 0.110318
C -2.923910 1.462709 -0.001360
C -2.185564 -0.849570 0.193761
C -3.526814 -1.265461 0.162905
C -4.255987 1.019623 -0.030145
C -4.575301 -0.342498 0.051252
H 4.341958 -0.029408 -2.008545
H 4.435796 -1.887653 -0.079338
H 2.134313 1.434954 -1.622204
H 1.956334 1.149517 0.875455
H 2.191196 -2.804706 -1.311258
H 3.479012 -2.260075 -2.375783
H 2.048952 -0.533007 -3.147066
H 0.825630 -0.953613 -1.939980
H 3.455019 -1.702695 2.640183
H 2.543757 -0.203949 2.790125
H 3.488354 1.790107 1.351963
H 5.202518 2.062094 1.635702
H 4.886732 0.288586 3.089402
H 5.371348 -0.618781 1.658202
H 0.925275 -2.360830 0.163458
H 2.109211 -3.118879 1.236847
H 0.918232 -1.973390 1.878123
H 5.361867 3.213668 -0.574849
H 4.829581 2.412401 -2.049314
H 3.645440 2.909772 -0.838816
H 6.950875 1.324605 0.039999
H 6.394736 -0.350601 0.023061
H 6.535661 0.554857 -1.488892
H -2.690319 2.540107 -0.065311
H -1.372177 -1.590770 0.283220
H -5.626829 -0.679686 0.028066


%chk=000289155-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289155

0 1
O 0.321904 -0.163393 0.141586
O -0.169677 2.124422 0.120663
O -3.132438 -3.534135 0.110272
O -4.996584 3.378203 0.034820
O -5.337735 -2.948118 0.076040
O -6.607031 1.760787 0.021562
N -4.081852 -2.663128 0.092093
N -5.378549 2.148540 0.037499
C 3.905940 0.088580 -0.985670
C 3.663314 -1.335501 -0.357225
C 2.598930 -1.085280 0.783469
C 2.380051 0.333454 -1.244562
C 1.795498 0.131183 0.172679
C 4.794275 1.168102 -0.281581
C 2.983230 -2.028992 -1.576038
C 2.025680 -0.905304 -2.126500
C 3.250818 -0.691850 2.149553
C 4.536763 1.400592 1.241051
C 4.558074 0.135174 2.127636
C 1.700315 -2.316887 1.068291
C 4.599347 2.526700 -1.012723
C 6.276921 0.728580 -0.476360
C -0.532132 0.922753 0.119724
C -1.969814 0.485049 0.102523
C -2.968942 1.485688 0.078152
C -2.331069 -0.882119 0.109258
C -3.697896 -1.221363 0.088972
C -4.321110 1.095400 0.061107
C -4.720207 -0.254457 0.065191
H 4.382693 -0.052947 -1.978940
H 4.557905 -1.869696 0.004986
H 2.103243 1.299817 -1.692773
H 1.897371 1.048633 0.774285
H 2.448703 -2.956029 -1.314006
H 3.750158 -2.298048 -2.325363
H 2.225823 -0.684467 -3.189853
H 0.960106 -1.179061 -2.038857
H 3.455666 -1.625468 2.711705
H 2.484297 -0.145530 2.738645
H 3.586118 1.950221 1.391257
H 5.330280 2.091902 1.591090
H 4.777002 0.431145 3.173060
H 5.402099 -0.511871 1.819865
H 1.026076 -2.565868 0.233791
H 2.332895 -3.199380 1.277939
H 1.068932 -2.134579 1.956993
H 5.323531 3.274944 -0.638425
H 4.756238 2.421754 -2.103167
H 3.584332 2.933642 -0.851004
H 6.964717 1.446852 0.008109
H 6.475370 -0.271278 -0.049082
H 6.533848 0.686880 -1.551744
H -2.688746 2.543242 0.073569
H -1.567405 -1.662497 0.130841
H -5.775576 -0.537995 0.050302


