%chk=000219043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219043

0 1
O 5.559712 1.219752 0.070465
O -4.811207 1.633704 -0.502012
N 2.150045 1.156630 1.044203
N 3.506771 1.366491 1.022640
N -4.028918 -0.451653 0.106260
C 2.398198 -0.355408 -0.938251
C 2.696667 -1.794050 -0.473828
C 1.435249 -2.658716 -0.366547
C 1.614753 0.379580 0.140838
C 0.513514 -2.252067 0.792896
C 3.698066 0.406982 -1.254071
C 0.151284 0.175661 0.160793
C -0.385739 -1.098284 0.440253
C 4.369490 1.001417 -0.038927
C -1.771826 -1.280861 0.412559
C -0.704267 1.252577 -0.112561
C -2.622691 -0.193847 0.118904
C -2.086148 1.078147 -0.141175
C -5.048724 0.483633 -0.200309
C -6.435040 -0.092441 -0.116199
H 1.780975 -0.396737 -1.871458
H 3.228289 -1.772459 0.498739
H 3.401367 -2.268667 -1.185986
H 1.739285 -3.716164 -0.228432
H 0.871456 -2.632414 -1.320312
H 1.118896 -1.978638 1.685529
H -0.083918 -3.130996 1.109297
H 3.491849 1.234963 -1.968640
H 4.421977 -0.248611 -1.783751
H -2.186446 -2.263177 0.622112
H -0.282726 2.242185 -0.301676
H 3.865165 1.868993 1.842575
H -2.743390 1.926804 -0.360644
H -4.303598 -1.406395 0.346266
H -6.594544 -0.917005 -0.823267
H -7.176112 0.687329 -0.365335
H -6.682716 -0.452257 0.891253


%chk=000219043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219043

0 1
O 5.664812 1.279135 -0.019524
O -4.957389 1.769745 -0.297431
N 2.144670 1.265162 0.951715
N 3.541217 1.461355 0.899046
N -4.074654 -0.378536 0.058104
C 2.461349 -0.412378 -0.898806
C 2.779174 -1.838302 -0.360773
C 1.539376 -2.759152 -0.304195
C 1.628696 0.384644 0.109457
C 0.438834 -2.325178 0.702814
C 3.734966 0.383437 -1.285811
C 0.153023 0.188778 0.151179
C -0.412079 -1.111033 0.335401
C 4.425223 1.044912 -0.098929
C -1.816151 -1.242386 0.297443
C -0.708320 1.300573 -0.016460
C -2.673784 -0.127206 0.092621
C -2.110032 1.166419 -0.051037
C -5.125093 0.528172 -0.126358
C -6.508129 -0.125144 -0.102417
H 1.849684 -0.544525 -1.811978
H 3.246217 -1.769339 0.642328
H 3.533105 -2.296397 -1.032047
H 1.877130 -3.774259 -0.016433
H 1.098520 -2.847717 -1.317612
H 0.929016 -2.129017 1.679887
H -0.236781 -3.186227 0.865349
H 3.471485 1.198653 -1.990131
H 4.471244 -0.258765 -1.797610
H -2.256036 -2.237450 0.453489
H -0.261323 2.293756 -0.128331
H 3.906141 2.027085 1.667920
H -2.763337 2.028628 -0.190166
H -4.345944 -1.356993 0.183985
H -6.610572 -0.882668 -0.901759
H -7.265827 0.655897 -0.258103
H -6.703432 -0.619677 0.867372


