%chk=000203140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203140

0 1
O 8.034474 -0.029010 -0.253417
O 1.132933 1.345935 -0.270927
O -3.901265 -2.639922 0.882355
O -5.712623 1.053694 -0.053841
O -6.023040 -1.107601 0.523129
N 5.209903 0.202956 0.101926
N 0.414024 -0.774548 0.295239
C 5.785526 -0.388946 -1.150778
C 6.144050 1.240146 0.651881
C 3.849062 0.776023 -0.144155
C 7.147171 -1.017805 -0.813449
C 7.498185 0.572561 0.942401
C 2.819939 -0.341005 0.119410
C 1.413682 0.203443 0.017321
C -0.993465 -0.577895 0.275759
C -1.794754 -1.687615 0.585994
C -1.580728 0.672486 -0.041512
C -3.797683 -0.290664 0.260050
C -3.191430 -1.535710 0.575835
C -2.956975 0.802055 -0.046112
C -5.247129 -0.188475 0.264081
C -7.179612 1.221142 -0.066493
C -7.364594 2.673902 -0.442517
H 5.091015 -1.169810 -1.524388
H 5.910097 0.358685 -1.964399
H 6.289524 2.100591 -0.036466
H 5.712247 1.637420 1.595396
H 3.649861 1.623560 0.550262
H 3.710902 1.187093 -1.167887
H 7.693005 -1.342392 -1.716528
H 7.046846 -1.855802 -0.101400
H 7.413659 -0.200112 1.726857
H 8.277587 1.308048 1.208022
H 2.974541 -1.176697 -0.593917
H 3.012857 -0.777053 1.125506
H 0.722435 -1.720970 0.542036
H -1.382457 -2.661692 0.834983
H -0.943891 1.530814 -0.280863
H -3.422201 1.763674 -0.289699
H -4.927065 -2.478910 0.862205
H -7.551473 0.969945 0.941741
H -7.588294 0.512536 -0.807254
H -8.428058 2.938780 -0.488742
H -6.880932 3.342662 0.283390
H -6.917859 2.896682 -1.421738


%chk=000203140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203140

0 1
O 8.134383 -0.216433 -0.237144
O 1.241228 1.539973 0.475448
O -3.886190 -2.674895 -0.344694
O -5.790877 1.099401 0.082428
O -6.001695 -1.194487 -0.244359
N 5.295849 0.292124 0.165412
N 0.442312 -0.645447 0.143358
C 5.775154 -0.961680 -0.474131
C 6.253574 1.398384 -0.106431
C 3.912649 0.656809 -0.219501
C 7.185570 -1.307593 0.033123
C 7.653188 1.020050 0.403171
C 2.867149 -0.300950 0.389624
C 1.456526 0.301704 0.333787
C -0.964697 -0.459638 0.102560
C -1.756829 -1.615278 -0.095236
C -1.578927 0.822616 0.251118
C -3.794681 -0.232544 -0.002381
C -3.162526 -1.517356 -0.149565
C -2.974957 0.912154 0.196350
C -5.256642 -0.165296 -0.065538
C -7.284735 1.201524 0.021183
C -7.627851 2.676722 0.192499
H 5.092183 -1.792904 -0.218102
H 5.798947 -0.864951 -1.589957
H 6.315421 1.629275 -1.199866
H 5.904504 2.308812 0.416178
H 3.696781 1.667029 0.171378
H 3.781871 0.699931 -1.330891
H 7.591474 -2.188376 -0.491508
H 7.145886 -1.507612 1.125903
H 7.622543 0.882892 1.505566
H 8.394317 1.794202 0.144788
H 2.888999 -1.294217 -0.098285
H 3.137375 -0.450480 1.454198
H 0.756449 -1.612298 0.028260
H -1.308032 -2.608009 -0.210730
H -0.954314 1.702871 0.402560
H -3.463808 1.884349 0.307621
H -4.878323 -2.421481 -0.358104
H -7.705669 0.569213 0.823203
H -7.617570 0.794718 -0.950320
H -8.724431 2.808800 0.153929
H -7.266801 3.056962 1.163219
H -7.176779 3.283611 -0.610825


