%chk=000229645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229645

0 1
O -2.189240 1.602197 -1.693680
O -1.725543 1.429674 0.507359
O -5.388491 0.934802 -2.008693
N -4.457864 0.589548 0.076778
C 4.805482 -0.194574 -0.423003
C 6.024154 0.141375 0.447203
C 3.549252 0.538125 0.066903
C 7.281034 -0.590728 -0.042161
C 2.330832 0.201671 -0.803553
C 8.499894 -0.255086 0.827915
C 9.756625 -0.987102 0.338670
C 1.078629 0.935150 -0.308833
C 10.976776 -0.652425 1.208268
C -0.136279 0.605749 -1.184476
C 12.230635 -1.378447 0.725803
C -1.379211 1.238982 -0.638477
C -3.452771 2.283109 -1.414384
C -3.727980 3.078926 -2.672049
C -4.538390 1.197460 -1.183759
C -5.320951 -0.444520 0.567861
C -5.039694 -0.956117 1.853178
C -6.406987 -0.939944 -0.172618
C -5.852629 -1.957748 2.382278
C -7.206530 -1.943565 0.377805
C -6.936635 -2.455396 1.650392
H 4.630748 -1.287937 -0.418153
H 5.011703 0.072990 -1.477391
H 5.819721 -0.126854 1.501802
H 6.200462 1.234390 0.443425
H 3.345298 0.269827 1.121973
H 3.726523 1.631212 0.063421
H 7.106046 -1.683939 -0.037916
H 7.486813 -0.322876 -1.096481
H 2.537349 0.469804 -1.858114
H 2.157554 -0.892340 -0.798319
H 8.675766 0.837933 0.823938
H 8.294978 -0.523268 1.882330
H 9.963497 -0.720030 -0.715436
H 9.582857 -2.080308 0.342240
H 1.254706 2.029408 -0.304014
H 0.864571 0.661806 0.746071
H 10.772213 -0.921283 2.263109
H 11.153440 0.440990 1.203984
H -0.295275 -0.495884 -1.237036
H 0.034018 0.924310 -2.237440
H 13.095683 -1.133605 1.352170
H 12.103059 -2.466561 0.753738
H 12.484108 -1.105154 -0.304770
H -3.322193 2.929559 -0.515916
H -4.636726 3.687475 -2.568898
H -2.888746 3.741002 -2.919280
H -3.889062 2.414242 -3.537780
H -3.689125 0.867461 0.712724
H -4.199527 -0.577907 2.431208
H -6.625959 -0.546198 -1.170338
H -5.639644 -2.354762 3.374446
H -8.049850 -2.328841 -0.195612
H -7.565526 -3.236280 2.070187


%chk=000229645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229645

0 1
O -2.343761 1.774087 -1.907700
O -1.793447 1.460552 0.335055
O -5.609043 0.911585 -2.063348
N -4.495050 0.596312 -0.007822
C 4.789052 -0.120719 -0.477288
C 6.015923 0.168070 0.416897
C 3.520716 0.646262 -0.040523
C 7.275884 -0.624504 0.001876
C 2.303563 0.382127 -0.955184
C 8.508062 -0.321706 0.884335
C 9.764010 -1.126636 0.480835
C 1.025052 1.103625 -0.476033
C 10.997844 -0.817830 1.359700
C -0.166031 0.872484 -1.432680
C 12.246695 -1.629907 0.953453
C -1.479691 1.393171 -0.885162
C -3.687562 2.359136 -1.511783
C -4.119937 3.240360 -2.673759
C -4.697978 1.208602 -1.235459
C -5.206567 -0.494316 0.567309
C -4.743854 -0.974923 1.823403
C -6.333388 -1.102392 -0.049288
C -5.398607 -2.049440 2.456800
C -6.977270 -2.178294 0.599899
C -6.521378 -2.659331 1.848571
H 4.578643 -1.210793 -0.468941
H 5.033187 0.140123 -1.528501
H 5.764879 -0.070480 1.471748
H 6.240664 1.255024 0.389891
H 3.263556 0.364590 1.001842
H 3.737134 1.734903 -0.023620
H 7.054596 -1.711725 0.043122
H 7.519884 -0.397894 -1.057291
H 2.548857 0.700232 -1.990074
H 2.111976 -0.710594 -1.002219
H 8.736465 0.763724 0.833700
H 8.260682 -0.537160 1.945101
H 10.010544 -0.916251 -0.581140
H 9.538634 -2.212399 0.537311
H 1.221481 2.190528 -0.388026
H 0.748279 0.752882 0.535886
H 10.749321 -1.025110 2.420767
H 11.224313 0.266504 1.300353
H -0.297823 -0.217410 -1.599527
H 0.011667 1.318420 -2.426692
H 13.114175 -1.389961 1.595642
H 12.056068 -2.716828 1.035207
H 12.533053 -1.418786 -0.094310
H -3.516704 2.937394 -0.583200
H -5.062532 3.755697 -2.420409
H -3.345152 3.994778 -2.889725
H -4.304348 2.628711 -3.570679
H -3.668467 0.931876 0.513864
H -3.872097 -0.505636 2.296577
H -6.682194 -0.732178 -1.014928
H -5.031933 -2.410378 3.424105
H -7.845580 -2.643940 0.120101
H -7.030867 -3.494740 2.340559


