%chk=000298033.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298033

0 1
O -4.188993 -0.530181 0.167758
O -1.220432 1.062356 -0.296140
O -3.390513 1.847159 2.323690
O -4.675234 1.485553 -0.891294
O -1.104499 -2.182713 1.107106
O 0.568965 0.981804 1.141681
O -0.859243 -3.375552 -0.795823
N 0.724221 1.855062 -1.049679
C -2.087497 0.497437 0.724377
C -2.752335 -0.739189 0.077011
C -3.218898 1.529938 0.955931
C -4.490920 0.861658 0.370107
C -2.522079 -2.047064 0.843000
C 0.112747 1.276975 0.059153
C -5.772080 0.956823 -1.669936
C -0.339556 -2.874729 0.173639
C 1.078495 -2.882915 0.589794
C 2.108179 2.227016 -1.115326
C 1.910022 -3.898478 0.086209
C 1.593968 -1.903114 1.450333
C 2.567660 2.767794 -2.333333
C 2.976907 2.069655 -0.023423
C 3.254908 -3.933977 0.455372
C 2.943529 -1.945216 1.812096
C 3.905552 3.148488 -2.442500
C 4.310998 2.458704 -0.158417
C 3.770610 -2.958470 1.318368
C 4.779949 2.996734 -1.360855
H -1.500507 0.270276 1.644327
H -2.491389 -0.821101 -1.002359
H -2.999621 2.515619 0.476419
H -5.405235 0.871761 0.987057
H -2.899820 -2.920080 0.275138
H -2.964457 -2.035040 1.855148
H -3.547536 1.042804 2.866930
H -5.653116 -0.124438 -1.800595
H -6.722789 1.203016 -1.190088
H -5.659612 1.484354 -2.624508
H 0.146520 2.016330 -1.882753
H 1.498172 -4.648993 -0.592580
H 0.942829 -1.103147 1.825596
H 1.898265 2.890176 -3.181174
H 2.618055 1.650341 0.921203
H 3.904083 -4.718813 0.070118
H 3.347117 -1.183080 2.477865
H 4.269499 3.567645 -3.380828
H 4.990453 2.340609 0.686200
H 4.822426 -2.989195 1.603329
H 5.821032 3.296896 -1.455543


%chk=000298033-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298033

0 1
O -4.247556 -0.462567 0.293641
O -1.283323 1.280975 -0.198446
O -3.788719 1.568337 2.494697
O -4.341730 1.499813 -1.137448
O -1.001023 -2.048043 1.135733
O 0.565000 1.175482 1.279531
O -1.154937 -4.221762 0.286391
N 0.701604 2.058733 -0.917993
C -2.163364 0.677828 0.821580
C -2.764993 -0.643869 0.257814
C -3.389858 1.599183 1.084532
C -4.496897 0.993537 0.200453
C -2.472266 -1.899273 1.082943
C 0.071486 1.483112 0.167020
C -5.353740 0.982723 -2.074645
C -0.449550 -3.266362 0.691071
C 1.037085 -3.253072 0.772234
C 2.064410 2.454539 -1.029244
C 1.729048 -4.439640 0.410990
C 1.760571 -2.101643 1.182850
C 2.491481 2.964781 -2.284265
C 2.984366 2.367086 0.048635
C 3.136847 -4.476557 0.461545
C 3.170277 -2.145820 1.225454
C 3.825441 3.383081 -2.462022
C 4.316615 2.790807 -0.147311
C 3.859899 -3.328726 0.867930
C 4.748740 3.298537 -1.393850
H -1.576769 0.530761 1.745514
H -2.428752 -0.775876 -0.786533
H -3.178997 2.651773 0.854693
H -5.523444 1.142701 0.587868
H -2.925445 -2.797423 0.629690
H -2.825235 -1.784154 2.122905
H -4.115831 0.656098 2.712309
H -5.290286 -0.117668 -2.156516
H -6.374133 1.270227 -1.748814
H -5.127309 1.450084 -3.044404
H 0.099274 2.209113 -1.730915
H 1.147473 -5.312356 0.095768
H 1.225741 -1.187430 1.456811
H 1.780938 3.031739 -3.118051
H 2.652588 1.979320 1.014069
H 3.670362 -5.392258 0.184765
H 3.729444 -1.255743 1.533353
H 4.142123 3.774246 -3.435069
H 5.022170 2.725208 0.688631
H 4.954938 -3.356215 0.903425
H 5.785035 3.624131 -1.531516


