%chk=000255456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255456

0 1
O -3.662659 0.328395 -1.132628
O -3.715442 2.120305 0.349427
O 1.365066 2.660719 -2.219479
O 4.583661 -1.464274 1.353207
N 2.441781 -0.466501 0.132417
N 2.993501 1.558336 -1.054372
N 4.706700 0.454682 0.109067
C -0.745752 0.855461 -1.488911
C -1.591619 1.495479 -0.381680
C 0.676737 0.681229 -1.052462
C -3.060505 1.575157 -0.800836
C 1.087864 -0.354881 -0.271053
C 0.214700 -1.443777 0.231745
C 1.640107 1.721824 -1.509249
C 3.337519 0.535805 -0.294484
C -3.666798 -0.697812 -0.101434
C -5.120795 2.447265 0.157434
C -0.236957 -1.419769 1.559246
C -0.155225 -2.490950 -0.624840
C -1.060321 -2.447522 2.027233
C -0.978085 -3.514871 -0.148028
C -4.796872 -1.630925 -0.499593
C -5.626744 2.759789 1.553668
C -1.429852 -3.494246 1.175946
C 5.272796 -0.555861 0.926096
C 6.733791 -0.389152 1.190042
H -0.777193 1.494135 -2.402392
H -1.191513 -0.117379 -1.788857
H -1.495195 0.934337 0.567706
H -1.223905 2.517769 -0.153342
H -3.256433 2.171216 -1.716307
H 2.751406 -1.259899 0.723768
H -3.831900 -0.221399 0.881293
H -2.679181 -1.191453 -0.127358
H -5.627264 1.577691 -0.298743
H -5.175323 3.317354 -0.519135
H 0.049773 -0.602156 2.220832
H 0.195535 -2.502785 -1.657182
H 5.292465 1.225829 -0.251756
H -1.413254 -2.432360 3.058053
H -1.268111 -4.330009 -0.810567
H -5.770585 -1.130368 -0.429720
H -4.685741 -1.953199 -1.544186
H -4.821780 -2.522701 0.133824
H -5.549568 1.882934 2.209004
H -5.025004 3.552602 2.019584
H -6.671065 3.087577 1.537719
H -2.069792 -4.295282 1.544682
H 6.966656 0.549446 1.716245
H 7.337533 -0.411598 0.269635
H 7.100547 -1.212008 1.830621


%chk=000255456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255456

0 1
O -3.893033 0.331048 -0.867370
O -3.818457 2.489554 0.230004
O 0.895836 2.705784 -1.771021
O 4.674893 -1.486330 1.290717
N 2.449621 -0.541229 0.141505
N 2.719355 1.684180 -0.712020
N 4.519767 0.639008 0.344665
C -0.921521 0.574509 -1.302692
C -1.714800 1.487643 -0.328324
C 0.534855 0.477701 -0.904514
C -3.184403 1.615443 -0.745393
C 1.105120 -0.619453 -0.272453
C 0.436980 -1.914485 0.049278
C 1.366043 1.693122 -1.169069
C 3.172040 0.606622 -0.096597
C -3.922906 -0.485187 0.367184
C -5.161177 2.957049 -0.180384
C 0.487224 -2.433249 1.371516
C -0.215962 -2.669106 -0.961014
C -0.121850 -3.669155 1.679795
C -0.823027 -3.904655 -0.651197
C -4.964301 -1.583168 0.148443
C -5.693749 3.846541 0.941852
C -0.781588 -4.407508 0.670396
C 5.218824 -0.370581 1.004018
C 6.660357 -0.040418 1.348791
H -0.974126 1.024783 -2.312342
H -1.407130 -0.412691 -1.345936
H -1.661027 1.095054 0.704007
H -1.272076 2.498142 -0.326404
H -3.280868 2.031549 -1.770619
H 2.946294 -1.325977 0.604166
H -4.186308 0.160952 1.227805
H -2.921916 -0.928275 0.552824
H -5.818200 2.082483 -0.357754
H -5.071169 3.522558 -1.133155
H 0.983418 -1.859764 2.163425
H -0.223733 -2.297893 -1.991206
H 4.977869 1.527201 0.119622
H -0.082841 -4.052892 2.704982
H -1.319653 -4.477466 -1.441682
H -5.962006 -1.143684 -0.025517
H -4.700600 -2.196874 -0.730801
H -5.018917 -2.244580 1.032925
H -5.776529 3.275940 1.883331
H -5.014832 4.699345 1.114524
H -6.693520 4.239791 0.680960
H -1.252725 -5.367065 0.909635
H 6.719704 0.846880 2.005066
H 7.248347 0.170826 0.437043
H 7.106107 -0.899822 1.868883


