%chk=000231688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231688

0 1
O 0.327899 0.131428 -0.030644
O 1.976712 0.419935 2.305036
O 2.892609 3.174607 1.106796
O 0.142954 -0.756646 -2.105031
O -6.679100 0.805033 -1.489144
O -6.367387 1.223048 0.611042
N 3.237687 -2.043592 -0.317415
N -5.975934 0.901242 -0.497865
C 1.784484 -0.119385 -0.014327
C 2.011401 -1.582880 0.400947
C 2.347878 0.900462 0.992367
C 2.884680 -2.643605 -1.648991
C 4.058979 -2.979266 0.518272
C 1.773136 2.310992 0.787254
C 4.105855 -2.621447 -2.568217
C 4.717897 -2.215849 1.668139
C -0.379755 -0.252695 -1.136420
C 2.791753 0.965930 3.364187
C -1.827898 0.055449 -0.944657
C 2.608673 4.573244 0.927568
C -2.677544 -0.042088 -2.057326
C -2.326298 0.423067 0.313197
C -4.037934 0.234479 -1.914828
C -3.686317 0.700471 0.463825
C -4.526760 0.604149 -0.653748
H 2.172824 0.090524 -1.040727
H 2.148921 -1.639235 1.508596
H 1.103960 -2.184008 0.182914
H 3.464404 0.915783 0.902416
H 2.487146 -3.677098 -1.562148
H 2.070081 -2.030153 -2.107840
H 3.468617 -3.834062 0.913026
H 4.850455 -3.412649 -0.134861
H 1.446628 2.495063 -0.248857
H 0.940818 2.509825 1.484819
H 3.826777 -2.887526 -3.593213
H 4.884046 -3.318286 -2.238453
H 4.559960 -1.621534 -2.592642
H 5.382724 -2.867780 2.242938
H 3.974219 -1.795716 2.357985
H 5.312319 -1.374432 1.288453
H 2.850872 2.058870 3.287569
H 2.251097 0.660744 4.266477
H 3.789902 0.519662 3.328762
H 2.369670 4.787630 -0.118189
H 3.556113 5.048062 1.212253
H 1.800602 4.891586 1.592276
H -2.268574 -0.338195 -3.029572
H -1.644391 0.490417 1.169915
H -4.720652 0.165078 -2.769575
H -4.098405 0.989349 1.437565


%chk=000231688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231688

0 1
O 0.176010 0.098053 -0.000634
O 1.984557 0.417100 2.216538
O 3.108694 3.086017 1.042087
O -0.115385 -0.524226 -2.234858
O -7.009370 0.688600 -1.305228
O -6.617373 1.164578 0.891028
N 3.252771 -2.060971 -0.254842
N -6.223344 0.824954 -0.290388
C 1.646567 -0.187489 -0.105637
C 1.899830 -1.680124 0.209084
C 2.361457 0.781098 0.845192
C 3.274279 -2.450852 -1.694550
C 3.935264 -3.040272 0.633564
C 2.029932 2.243894 0.510530
C 4.638811 -2.203532 -2.364464
C 4.433751 -2.412379 1.948378
C -0.590410 -0.146639 -1.132860
C 2.891865 0.943547 3.245830
C -2.043121 0.111727 -0.879518
C 2.879157 4.504769 0.773113
C -2.944147 -0.023799 -1.967366
C -2.522010 0.478990 0.405524
C -4.318788 0.208690 -1.782491
C -3.895486 0.713560 0.604105
C -4.771213 0.575683 -0.495540
H 1.952384 0.024053 -1.147098
H 1.816818 -1.817550 1.298979
H 1.102499 -2.289329 -0.276001
H 3.452010 0.618771 0.696270
H 2.977793 -3.522030 -1.821265
H 2.502755 -1.856233 -2.218672
H 3.272776 -3.913630 0.857392
H 4.804457 -3.440707 0.081095
H 1.958433 2.380685 -0.592896
H 1.055057 2.519115 0.965436
H 4.597384 -2.481407 -3.434101
H 5.444332 -2.797869 -1.896173
H 4.915516 -1.137490 -2.286645
H 4.929689 -3.175813 2.576382
H 3.604147 -1.977036 2.533330
H 5.158779 -1.607338 1.732949
H 2.863124 2.046943 3.285698
H 2.540916 0.513652 4.198007
H 3.937467 0.625564 3.053005
H 2.821215 4.705041 -0.318217
H 3.739471 5.045193 1.197946
H 1.943200 4.864721 1.251005
H -2.546066 -0.311701 -2.945224
H -1.812839 0.571230 1.232062
H -5.037849 0.113518 -2.599822
H -4.297962 0.996673 1.579864


