%chk=000202608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202608

0 1
O 5.623034 -1.752798 0.068639
O -1.478443 1.066856 -2.430033
O -6.308021 -1.319891 0.765795
O 7.877896 -4.431650 -0.050766
O 5.746012 -4.314129 -0.444718
O -9.561927 -2.576618 0.422007
O -8.305840 -2.268904 2.165439
N 2.530474 2.271162 0.487872
N -2.114147 0.504808 -0.256026
N -3.334204 0.060388 -0.653885
N 6.818216 -3.832814 -0.132974
N -8.529787 -2.226657 0.971107
C 0.192202 2.775654 -0.099215
C 0.077867 1.451352 -0.626997
C 1.453718 3.144665 0.457385
C 2.387578 1.043943 -0.022528
C 1.145452 0.590425 -0.597979
C -0.866882 3.734641 -0.107234
C 1.631667 4.458018 1.007739
C -1.215895 1.011890 -1.260477
C -0.669296 4.985088 0.422464
C 3.534453 0.118618 0.008674
C 0.590538 5.348969 0.987483
C 4.773670 0.487653 0.375338
C 5.899184 -0.420167 0.405963
C 7.242709 -0.264067 0.706368
C 6.858396 -2.411562 0.174676
C 7.860776 -1.543172 0.557711
C -5.463197 -0.868234 -0.259211
C -4.174981 -0.410183 0.231735
C -6.080648 -0.976453 -1.491826
C -7.483105 -1.713684 0.101851
C -7.381529 -1.521074 -1.261283
H 1.081747 -0.418563 -1.008612
H -1.826635 3.463502 -0.550449
H 2.606023 4.713541 1.429811
H -1.471277 5.725051 0.417078
H 3.316579 -0.913531 -0.294551
H 0.707346 6.352803 1.399448
H 5.002840 1.521388 0.679937
H -1.819220 0.487761 0.730903
H 7.741583 0.643586 0.997652
H 8.902179 -1.780346 0.713980
H -4.029118 -0.505378 1.320116
H -5.659686 -0.702227 -2.446416
H -8.132202 -1.737564 -2.006291


%chk=000202608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202608

0 1
O 6.141753 -1.616316 -0.190077
O -1.115806 -0.321756 -2.217692
O -6.802787 -0.449564 0.677646
O 8.970095 -3.801248 -0.458187
O 6.790752 -4.070319 -1.154479
O -10.152296 -1.651121 0.259417
O -9.173274 -0.502456 1.999524
N 2.526433 1.998458 0.573002
N -2.278241 0.438460 -0.318731
N -3.470620 -0.115230 -0.712462
N 7.741446 -3.396259 -0.593843
N -9.144614 -1.067042 0.836706
C 0.113794 2.314705 0.015524
C 0.096558 0.989934 -0.562875
C 1.375594 2.759422 0.593290
C 2.491668 0.782372 -0.036452
C 1.284571 0.255953 -0.612271
C -0.994858 3.224855 0.012817
C 1.450818 4.055313 1.203603
C -1.130993 0.327368 -1.144219
C -0.883010 4.488048 0.601730
C 3.721282 -0.014444 -0.088504
C 0.341494 4.900825 1.216329
C 4.916661 0.417184 0.433487
C 6.142151 -0.330119 0.405992
C 7.437471 -0.046729 0.876284
C 7.449049 -2.094282 -0.069278
C 8.268738 -1.169380 0.573667
C -5.757254 -0.596427 -0.260388
C -4.488664 -0.030083 0.125958
C -6.226947 -1.287876 -1.388607
C -7.915903 -1.064658 0.097408
C -7.605151 -1.586722 -1.157716
H 1.288064 -0.731119 -1.085283
H -1.925203 2.950706 -0.495729
H 2.410594 4.350860 1.637376
H -1.735539 5.175249 0.580739
H 3.663032 -0.996354 -0.573478
H 0.408296 5.891280 1.678301
H 4.951517 1.403880 0.909692
H -2.179112 0.901116 0.599520
H 7.737106 0.870472 1.379102
H 9.325463 -1.304044 0.787748
H -4.444717 0.449067 1.121290
H -5.626455 -1.536891 -2.260142
H -8.296857 -2.112993 -1.810042


