%chk=000203172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203172

0 1
O -4.283268 -0.109255 -0.185741
O 2.677582 -1.418698 0.377521
O -1.933605 3.191851 -1.153118
O -4.100017 2.116920 -0.866695
N 6.841898 -0.704407 0.319839
N 2.148173 0.766557 -0.305017
C 5.474682 -0.993756 -0.174552
C 7.592329 -1.928276 0.707014
C 7.584184 0.238748 -0.556218
C 4.512101 0.193426 0.051479
C -7.906365 -1.316775 0.074280
C -6.359843 -1.336977 0.112485
C 7.983304 -2.897193 -0.443268
C 8.906629 0.736306 0.056496
C -8.529474 -2.688461 0.420262
C 3.042642 -0.252227 0.053140
C -5.772181 0.026031 -0.249068
C 0.729428 0.747676 -0.338774
C -10.072581 -2.670861 0.383755
C -2.101323 0.863761 -0.442795
C 0.080120 1.947798 -0.722730
C -0.038947 -0.412525 -0.004891
C -1.325919 2.008527 -0.776060
C -1.437125 -0.333102 -0.061658
C -3.549169 1.015620 -0.518163
H 5.068869 -1.853214 0.388030
H 5.457442 -1.279423 -1.255661
H 8.505521 -1.615468 1.245499
H 6.969709 -2.471198 1.443429
H 7.785099 -0.197713 -1.568680
H 6.929253 1.114890 -0.723368
H 4.667915 0.995438 -0.696277
H 4.748461 0.623467 1.045924
H -8.251065 -1.004917 -0.933775
H -8.288134 -0.554327 0.784846
H -5.975951 -2.098277 -0.593552
H -6.012324 -1.627901 1.122470
H -8.149207 -3.450381 -0.290021
H -8.185223 -3.001819 1.426780
H 8.649110 -2.411073 -1.180098
H 8.520000 -3.772906 -0.033195
H 7.091588 -3.269700 -0.979516
H 8.730339 1.145105 1.067372
H 9.659792 -0.067955 0.134823
H 9.339012 1.534434 -0.574371
H -6.077638 0.817985 0.459371
H -6.049349 0.348943 -1.269340
H 2.577811 1.659181 -0.561497
H -10.478765 -1.936613 1.104844
H -10.443348 -2.394229 -0.621288
H -10.493067 -3.661030 0.637675
H 0.643036 2.850940 -0.983478
H 0.471864 -1.330340 0.286000
H -2.046263 -1.205578 0.191045
H -2.938944 3.042370 -1.128422


%chk=000203172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203172

0 1
O -4.234979 -0.080450 -0.257330
O 2.608969 -1.349623 0.891327
O -1.769413 3.237861 -1.237650
O -4.083261 2.100386 -1.053559
N 6.835536 -0.705265 0.292706
N 2.168785 0.801489 0.049652
C 5.398695 -0.984417 0.065748
C 7.636278 -1.923824 0.582009
C 7.413965 0.200909 -0.732316
C 4.499054 0.176812 0.558743
C -7.837139 -1.363646 -0.077795
C -6.296576 -1.326120 0.057920
C 7.804949 -2.935266 -0.585851
C 8.813138 0.730176 -0.366561
C -8.445675 -2.693675 0.422982
C 3.017688 -0.211384 0.518543
C -5.719136 -0.001048 -0.436631
C 0.756236 0.799470 -0.086739
C -9.982747 -2.736479 0.288092
C -2.063597 0.930000 -0.415130
C 0.158535 1.982904 -0.581913
C -0.050462 -0.331882 0.250618
C -1.239189 2.061338 -0.750346
C -1.437518 -0.246229 0.081649
C -3.511871 1.043526 -0.603126
H 5.111109 -1.883903 0.638029
H 5.166767 -1.198594 -1.006599
H 8.633881 -1.604775 0.935400
H 7.154580 -2.434014 1.437769
H 7.450591 -0.280196 -1.743324
H 6.731234 1.066668 -0.828981
H 4.689728 1.101350 -0.019390
H 4.778693 0.386517 1.609022
H -8.123602 -1.209959 -1.139106
H -8.283875 -0.522238 0.491777
H -5.848051 -2.157576 -0.519055
H -6.008524 -1.474710 1.116402
H -7.998644 -3.534809 -0.144747
H -8.160829 -2.847395 1.483571
H 8.332618 -2.484148 -1.446344
H 8.396838 -3.806709 -0.249121
H 6.826819 -3.308919 -0.940216
H 8.799786 1.182440 0.641026
H 9.577314 -0.067363 -0.377804
H 9.129023 1.500787 -1.093476
H -6.093706 0.864614 0.139845
H -5.929357 0.178100 -1.507228
H 2.631892 1.670488 -0.227453
H -10.455571 -1.923581 0.870909
H -10.292622 -2.616327 -0.767227
H -10.393096 -3.695794 0.652828
H 0.756379 2.862162 -0.846066
H 0.425600 -1.235879 0.630386
H -2.071685 -1.101075 0.333895
H -2.784757 3.118674 -1.296671


