%chk=000187704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187704

0 1
O -1.151831 0.405539 -0.431339
O -2.525769 1.843829 0.643462
N -5.821891 0.206813 -1.371529
N -2.887196 -1.694592 -2.482040
C 5.003355 0.396704 0.443935
C 6.200438 -0.405909 -0.083405
C 3.686133 -0.093942 -0.171730
C 7.518693 0.083685 0.531211
C 2.488814 0.708374 0.355424
C 8.715303 -0.719009 0.003545
C 1.177084 0.213748 -0.263033
C 10.035051 -0.230544 0.617227
C -0.007724 1.014181 0.264376
C 11.229512 -1.026197 0.095293
C -7.901532 -0.383287 -0.107313
C -7.206349 0.622278 -1.036620
C -7.359534 -0.336295 1.327183
C -2.386523 0.926415 -0.145906
C -8.100018 -1.312745 2.236417
C -3.449163 0.247074 -0.890611
C -4.744473 0.695313 -0.698942
C -3.123378 -0.817646 -1.762323
H 5.145275 1.472219 0.222898
H 4.955716 0.319335 1.547318
H 6.248540 -0.329219 -1.186878
H 6.059189 -1.481642 0.137234
H 3.734357 -0.017515 -1.275515
H 3.544909 -1.170103 0.048293
H 7.470962 0.006459 1.634536
H 7.660261 1.159190 0.310243
H 2.630903 1.784194 0.133092
H 2.441063 0.629606 1.459273
H 8.575276 -1.794774 0.223618
H 8.764335 -0.643011 -1.099696
H 1.211793 0.284607 -1.369745
H 1.023024 -0.864257 -0.050671
H 10.177426 0.845292 0.395771
H 9.988120 -0.308263 1.721078
H 0.021468 2.083198 -0.004063
H -0.172895 0.904187 1.348947
H 11.138402 -2.092439 0.331668
H 12.166351 -0.670693 0.538373
H 11.327446 -0.939777 -0.992824
H -8.990451 -0.170675 -0.102215
H -7.807426 -1.411828 -0.509961
H -7.203112 1.638500 -0.580142
H -7.773880 0.713303 -1.993453
H -7.446548 0.690734 1.733990
H -6.276536 -0.574713 1.332096
H -5.726101 -0.595498 -1.993384
H -8.001158 -2.348130 1.889216
H -7.703523 -1.276423 3.258877
H -9.170700 -1.086166 2.295251
H -4.912591 1.524913 0.019295


%chk=000187704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187704

0 1
O -1.166216 0.366209 -0.511382
O -2.482103 1.986313 0.548764
N -5.948182 0.266560 -1.117562
N -3.276598 -1.834523 -2.381392
C 5.134866 0.417585 0.343822
C 6.362111 -0.429274 -0.062060
C 3.800249 -0.140229 -0.199249
C 7.697242 0.129329 0.479852
C 2.574644 0.706552 0.211512
C 8.925571 -0.716966 0.075886
C 1.245222 0.142107 -0.341585
C 10.260451 -0.157659 0.618990
C 0.049268 0.991854 0.086976
C 11.482311 -1.009211 0.211336
C -8.181645 -0.219286 -0.057048
C -7.300696 0.786620 -0.835245
C -7.664446 -0.533222 1.364246
C -2.382723 0.971878 -0.195685
C -8.564837 -1.541142 2.110178
C -3.513385 0.276551 -0.837625
C -4.798330 0.775739 -0.606355
C -3.336577 -0.869123 -1.670702
H 5.272238 1.457982 -0.018766
H 5.083139 0.479158 1.451233
H 6.413988 -0.492049 -1.169297
H 6.225802 -1.469454 0.301324
H 3.850245 -0.198930 -1.306437
H 3.663240 -1.181011 0.161065
H 7.645019 0.192838 1.587195
H 7.833836 1.169396 0.115803
H 2.714425 1.748075 -0.146277
H 2.524338 0.761293 1.319177
H 8.790836 -1.757328 0.439669
H 8.980025 -0.780555 -1.031295
H 1.282902 0.100430 -1.446990
H 1.097947 -0.895959 0.013255
H 10.394486 0.881671 0.254952
H 10.204880 -0.094108 1.725140
H 0.123309 2.033523 -0.278184
H -0.073535 1.020818 1.185846
H 11.386266 -2.045372 0.587636
H 12.422808 -0.589408 0.613653
H 11.579117 -1.061337 -0.889733
H -9.204980 0.203278 0.003219
H -8.269172 -1.160074 -0.639317
H -7.186583 1.719787 -0.253946
H -7.789681 1.050998 -1.793342
H -7.601413 0.409580 1.945391
H -6.633463 -0.932770 1.302830
H -5.880666 -0.562056 -1.719975
H -8.619267 -2.503121 1.566680
H -8.177477 -1.749098 3.123713
H -9.596305 -1.155016 2.215016
H -4.883603 1.656555 0.040891


