%chk=000231856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231856

0 1
O 3.086018 -2.691344 -0.206496
O -2.470763 -2.075754 -1.033167
O 2.258571 2.056401 -0.409019
O -2.073191 2.348387 0.402071
O 0.035428 -1.064734 0.763005
N 1.306898 -0.326611 -1.043140
N -1.012407 0.223727 -0.875365
C 2.555984 -0.248535 -0.329578
C -2.297062 0.124507 -0.246713
C 3.325008 -1.373886 0.025549
C -3.053708 -1.073804 -0.305027
C 3.085049 1.033403 0.008484
C -2.867731 1.224790 0.441569
C 0.108549 -0.394194 -0.248647
C 4.575470 -1.211508 0.687233
C -4.310676 -1.167726 0.320092
C 4.306151 1.201624 0.652708
C -4.125036 1.146445 1.053212
C 5.042973 0.052612 0.991694
C -4.825515 -0.061058 0.992178
C 1.799240 -3.141149 -0.707780
C -3.095230 -3.384890 -1.003925
C 2.659978 3.415622 -0.108281
C -2.522998 3.518786 1.129133
H 1.295197 0.317455 -1.843480
H -0.875611 1.089959 -1.397867
H 5.136968 -2.107125 0.945706
H -4.880223 -2.089473 0.285020
H 4.693835 2.180937 0.900998
H -4.551338 1.993503 1.576548
H 5.999736 0.169485 1.503596
H -5.799896 -0.136346 1.478383
H 1.948349 -4.225748 -0.737316
H 1.008469 -2.860095 0.003658
H 1.613010 -2.727629 -1.702067
H -2.396504 -3.971597 -1.615008
H -3.132542 -3.765346 0.021248
H -4.084816 -3.344687 -1.466623
H 2.728124 3.557542 0.974676
H 1.828605 3.993546 -0.530934
H 3.602489 3.651094 -0.611210
H -1.699190 4.221337 0.950783
H -2.617550 3.288436 2.194906
H -3.460015 3.890740 0.705195


%chk=000231856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231856

0 1
O 2.456381 -2.656602 -0.343977
O -2.076034 -2.116561 -0.602859
O 2.810429 2.223670 -0.124851
O -2.651527 2.544301 0.154674
O 0.034417 -1.067020 0.953518
N 1.243106 0.160454 -0.652036
N -1.057854 0.500824 -0.449095
C 2.553244 -0.140742 -0.167608
C -2.391182 0.198943 -0.086403
C 3.068271 -1.456064 0.013815
C -2.919580 -1.122470 -0.097026
C 3.393610 0.970031 0.161568
C -3.259490 1.274372 0.255008
C 0.069591 -0.204505 0.036867
C 4.345129 -1.628711 0.617931
C -4.247814 -1.361391 0.337744
C 4.676636 0.798470 0.716638
C -4.596910 1.049759 0.646942
C 5.129848 -0.520423 0.966631
C -5.071583 -0.279359 0.707583
C 1.462744 -2.707735 -1.430951
C -2.386925 -3.506057 -0.257426
C 3.585129 3.417951 0.214621
C -3.455035 3.708471 0.527450
H 1.188510 0.961874 -1.286130
H -0.917063 1.460527 -0.777731
H 4.698083 -2.652910 0.766819
H -4.646094 -2.379448 0.360719
H 5.308987 1.654074 0.966975
H -5.254707 1.879959 0.916953
H 6.116293 -0.675972 1.416440
H -6.099981 -0.470206 1.031893
H 1.468409 -3.762184 -1.752463
H 0.462791 -2.426316 -1.065968
H 1.759600 -2.057500 -2.273616
H -1.520093 -4.088972 -0.602209
H -2.501565 -3.623075 0.835935
H -3.300466 -3.857642 -0.776140
H 3.802674 3.456674 1.299168
H 2.945431 4.267748 -0.066746
H 4.533356 3.458114 -0.355934
H -2.789555 4.574658 0.396727
H -3.781676 3.644703 1.582997
H -4.339439 3.813388 -0.130446


