%chk=000209644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209644

0 1
O 4.334148 -1.698960 0.976941
N -0.629117 -2.403552 -0.304163
N 2.472434 -0.673124 0.092705
N 4.356574 0.610252 0.909246
C 1.812891 -2.006643 -0.059353
C 0.453531 -2.109441 0.688785
C 1.509131 -2.344992 -1.537069
C 0.071793 -2.896579 -1.537766
C -1.501329 -1.218779 -0.585597
C -2.474297 -1.024224 0.593475
C 1.691027 0.530459 -0.074298
C 3.773568 -0.653097 0.675578
C -3.456015 0.072950 0.291027
C 1.365109 1.324944 1.040963
C 1.274701 0.909697 -1.361477
C -3.068137 1.417576 0.406793
C -4.764003 -0.235974 -0.112252
C 0.625191 2.493841 0.857862
C 0.529467 2.079343 -1.526627
C 0.205266 2.873086 -0.422125
C 5.804532 0.638554 1.220276
C -3.980601 2.437499 0.127630
C -5.673194 0.788415 -0.390213
C -5.285001 2.126337 -0.270553
H 2.526808 -2.770798 0.360606
H 0.234709 -1.216106 1.302563
H 0.478991 -2.971592 1.391280
H 1.599631 -1.456754 -2.189914
H 2.230853 -3.080374 -1.928028
H -0.474398 -2.636362 -2.461816
H 0.076791 -4.006967 -1.469977
H -2.087528 -1.425001 -1.508218
H -0.932352 -0.282611 -0.770492
H -2.992303 -1.984045 0.803261
H -1.914242 -0.795932 1.522805
H 1.692943 1.029999 2.038161
H 1.527372 0.282725 -2.220080
H 4.007619 1.430591 0.417765
H -2.052326 1.664402 0.712223
H -5.072308 -1.275178 -0.208929
H 0.371808 3.112496 1.718992
H 0.201132 2.373989 -2.523428
H -0.374414 3.784449 -0.557877
H 6.110458 -0.304506 1.718079
H 6.429493 0.760545 0.321463
H 6.003002 1.469327 1.917663
H -3.676119 3.477985 0.221635
H -6.687304 0.542444 -0.700472
H -5.994484 2.921686 -0.485451


%chk=000209644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209644

0 1
O 4.390970 -1.875164 0.782670
N -0.675474 -2.457548 -0.165072
N 2.511069 -0.624908 0.114649
N 4.530178 0.456354 0.742933
C 1.740921 -1.876017 -0.113932
C 0.423754 -2.014968 0.750121
C 1.264558 -2.121029 -1.574745
C 0.027435 -3.029604 -1.355664
C -1.654627 -1.387381 -0.489972
C -2.647773 -1.152093 0.680946
C 1.899618 0.663636 -0.107168
C 3.849500 -0.744445 0.564626
C -3.666284 -0.069765 0.357686
C 1.316211 1.372835 0.976887
C 1.884528 1.242259 -1.403450
C -3.299606 1.302302 0.383019
C -4.994533 -0.404230 -0.011543
C 0.713576 2.633360 0.763496
C 1.274166 2.499409 -1.615514
C 0.685376 3.196152 -0.534349
C 5.922348 0.480593 1.198362
C -4.232937 2.309731 0.052106
C -5.932847 0.600121 -0.343644
C -5.554923 1.962235 -0.313036
H 2.449822 -2.672586 0.172106
H 0.155731 -1.058362 1.231287
H 0.583738 -2.761544 1.549596
H 0.947015 -1.176220 -2.052028
H 2.053093 -2.583001 -2.193422
H -0.652281 -3.076205 -2.223000
H 0.351348 -4.062723 -1.119008
H -2.230086 -1.709013 -1.378295
H -1.169495 -0.413104 -0.749055
H -3.144998 -2.114016 0.900587
H -2.070526 -0.873939 1.584522
H 1.354176 0.933593 1.979925
H 2.365075 0.708317 -2.229933
H 4.054240 1.335989 0.542398
H -2.276554 1.580455 0.667828
H -5.294690 -1.459391 -0.033027
H 0.270965 3.175096 1.606987
H 1.263422 2.936321 -2.620106
H 0.214506 4.171224 -0.700639
H 6.238090 -0.563273 1.353856
H 6.587340 0.944103 0.444911
H 6.026904 1.030298 2.152997
H -3.933114 3.363953 0.081222
H -6.956080 0.321458 -0.621030
H -6.281342 2.742732 -0.566487


