%chk=000186312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186312

0 1
O -2.163655 -3.825352 0.471547
O -1.674314 -3.390780 -1.589750
O 4.846737 1.320513 0.682398
O -4.441619 1.999001 0.632985
N -1.447887 -3.353894 -0.391803
C -0.007767 -1.308254 -0.623018
C -0.148479 -2.688336 0.074724
C 1.005583 -3.647156 -0.264471
C 1.293923 -0.615772 -0.280500
C -1.198780 -0.428660 -0.298189
C 1.010223 -4.883540 0.625281
C 1.881591 -0.705381 0.996201
C -1.270747 0.305327 0.900256
C 1.917617 0.161716 -1.265903
C -2.254368 -0.345714 -1.217104
C 3.069992 -0.046247 1.281549
C -2.370614 1.106270 1.178956
C 3.113278 0.837832 -1.005566
C -3.372856 0.451776 -0.963022
C 3.680449 0.726456 0.269932
C -3.420250 1.172524 0.237560
C 5.566024 2.169139 -0.268687
C -5.610739 2.121192 -0.238972
C 6.766488 2.643811 0.549209
C -6.511286 3.077786 0.541637
C 7.661867 3.557763 -0.277406
C -7.808960 3.341227 -0.211456
H -0.009618 -1.508969 -1.733740
H -0.232235 -2.551306 1.185072
H 1.970775 -3.105703 -0.158517
H 0.955015 -3.941095 -1.334667
H 0.075449 -5.455393 0.550409
H 1.146940 -4.628676 1.683242
H 1.824967 -5.564296 0.347752
H 1.404317 -1.299007 1.777136
H -0.454012 0.254460 1.621386
H 1.466190 0.251288 -2.255330
H -2.216132 -0.924443 -2.144158
H 3.537965 -0.106925 2.261610
H -2.442521 1.680041 2.099884
H 3.574979 1.433969 -1.784965
H -4.178686 0.494604 -1.687341
H 5.855068 1.556329 -1.138077
H 4.903281 2.994896 -0.575522
H -5.284694 2.533495 -1.207753
H -6.058691 1.122322 -0.370339
H 6.410772 3.164120 1.462569
H 7.335401 1.765354 0.917850
H -6.719357 2.654120 1.545993
H -5.968228 4.026251 0.732650
H 8.522457 3.898818 0.312204
H 7.129343 4.453639 -0.618471
H 8.059221 3.049553 -1.164060
H -8.455251 4.026451 0.351537
H -8.380750 2.419921 -0.375644
H -7.628118 3.798834 -1.191299


%chk=000186312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186312

0 1
O -2.279894 -3.659345 0.657241
O -1.700093 -3.456022 -1.536332
O 4.989461 1.353302 0.790957
O -4.550081 2.019207 0.758143
N -1.469958 -3.312168 -0.276567
C 0.016617 -1.294986 -0.534883
C -0.115713 -2.705853 0.129604
C 0.989108 -3.701929 -0.293637
C 1.355032 -0.633321 -0.185374
C -1.189972 -0.396282 -0.209146
C 0.868480 -5.086587 0.375988
C 1.943997 -0.702158 1.107438
C -1.304068 0.292875 1.028549
C 2.022305 0.131977 -1.170350
C -2.239066 -0.254933 -1.147842
C 3.148350 -0.036746 1.399036
C -2.428685 1.083575 1.319515
C 3.229596 0.812584 -0.897628
C -3.376721 0.537580 -0.874286
C 3.797425 0.728429 0.398385
C -3.473774 1.208179 0.369416
C 5.699414 2.176251 -0.206936
C -5.680536 2.162355 -0.178040
C 6.945906 2.739943 0.479073
C -6.708973 3.074115 0.495326
C 7.768831 3.629657 -0.478342
C -7.947830 3.294900 -0.399970
H 0.004736 -1.480791 -1.626634
H -0.189540 -2.628682 1.227758
H 1.958605 -3.241050 -0.034076
H 0.961012 -3.802851 -1.395443
H -0.059651 -5.608383 0.081144
H 0.872529 -5.002767 1.478549
H 1.718714 -5.727919 0.082916
H 1.469950 -1.288686 1.903479
H -0.498437 0.230236 1.767876
H 1.586506 0.206931 -2.174247
H -2.177181 -0.781969 -2.107218
H 3.603422 -0.092849 2.392652
H -2.520477 1.616700 2.270795
H 3.709278 1.393753 -1.690397
H -4.168042 0.616061 -1.625217
H 5.976441 1.547501 -1.079504
H 5.033828 2.993806 -0.555960
H -5.322606 2.605006 -1.131826
H -6.115339 1.163360 -0.392735
H 6.632518 3.319747 1.367025
H 7.562534 1.898411 0.845872
H -7.007875 2.622069 1.459294
H -6.227675 4.041801 0.730010
H 8.665681 4.024838 0.030162
H 7.176902 4.493551 -0.834863
H 8.108416 3.062086 -1.365170
H -8.677471 3.956849 0.098824
H -8.459236 2.339822 -0.623829
H -7.671403 3.764721 -1.362775


