%chk=000241392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241392

0 1
O -0.613659 -1.688327 1.921590
O 2.014564 -2.421623 -0.143046
O -1.706428 -4.163399 -0.516624
N 0.128386 -3.621724 0.710474
C -1.644708 1.425775 0.344899
C 2.075562 1.208254 -0.511904
C -0.727026 -3.118151 1.804905
C 1.581002 -3.415963 0.811930
C -2.742639 1.009635 -0.456984
C 2.435005 1.626766 0.798687
C -1.341218 -0.855366 1.079179
C 2.093001 -1.086711 0.236588
C -0.944457 0.465150 1.129715
C 1.904444 -0.181247 -0.784973
C -3.110429 -0.372932 -0.476317
C 2.618224 0.644963 1.823818
C -2.426227 -1.298658 0.270269
C 2.450697 -0.690568 1.559484
C -1.260651 2.807033 0.338040
C 1.882919 2.198186 -1.530203
C -3.448214 1.983328 -1.232692
C 2.598862 3.023084 1.065172
C -0.494259 -4.045460 -0.503622
C -1.954944 3.715384 -0.418730
C 2.043947 3.529465 -1.242937
C -3.066550 3.300874 -1.211712
C 2.408077 3.949173 0.071169
C 0.390259 -4.371518 -1.662124
H -1.784179 -3.430960 1.650969
H -0.336174 -3.439829 2.794482
H 1.874045 -3.136891 1.844454
H 2.134064 -4.312152 0.451013
H -0.102810 0.769606 1.748284
H 1.622630 -0.513589 -1.780611
H -3.947776 -0.683022 -1.102808
H 2.894309 0.979808 2.824269
H -2.694536 -2.358263 0.235941
H 2.576189 -1.443386 2.333507
H -0.401182 3.110329 0.935674
H 1.599460 1.869156 -2.528859
H -4.291972 1.655395 -1.837993
H 2.878416 3.332959 2.071155
H -1.670116 4.766196 -0.429602
H 1.895755 4.287863 -2.010723
H -3.598874 4.047630 -1.796478
H 2.531353 5.012776 0.264948
H -0.215704 -4.539473 -2.567806
H 0.980948 -5.281902 -1.495364
H 1.097315 -3.551772 -1.887803


%chk=000241392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241392

0 1
O -1.165388 -1.693792 2.010172
O 1.198677 -1.798524 -0.101110
O -1.761000 -4.782709 -0.268149
N -0.109520 -3.557327 0.827926
C -2.385292 1.289403 0.178918
C 2.367376 1.723512 -0.090914
C -1.049150 -3.147237 1.884664
C 1.206414 -2.950063 0.836322
C -3.224162 0.702112 -0.849071
C 3.601062 1.632175 0.668330
C -1.862838 -0.953797 1.021857
C 2.014251 -0.685504 0.199590
C -1.717111 0.432972 1.107462
C 1.591196 0.544338 -0.311595
C -3.349379 -0.724141 -0.896957
C 4.002828 0.352851 1.171950
C -2.684537 -1.549818 0.012191
C 3.233882 -0.791097 0.946372
C -2.242466 2.718412 0.222741
C 1.952483 3.006313 -0.587299
C -3.889927 1.562737 -1.783462
C 4.374315 2.819664 0.890580
C -0.570404 -4.352767 -0.245477
C -2.902146 3.529709 -0.703004
C 2.726332 4.144149 -0.352107
C -3.734669 2.949153 -1.714878
C 3.948873 4.052112 0.390506
C 0.431726 -4.673464 -1.345693
H -2.013260 -3.642056 1.681079
H -0.662639 -3.443287 2.873670
H 1.430625 -2.596180 1.858709
H 1.974496 -3.671018 0.503743
H -1.071472 0.854826 1.884665
H 0.649375 0.594038 -0.866727
H -3.978699 -1.176198 -1.672699
H 4.938077 0.275830 1.739206
H -2.789080 -2.636727 -0.066487
H 3.576789 -1.761812 1.320292
H -1.606475 3.163961 0.997268
H 1.016612 3.076718 -1.154549
H -4.524806 1.113909 -2.557154
H 5.307149 2.745727 1.462785
H -2.787450 4.618622 -0.658087
H 2.401532 5.117360 -0.736753
H -4.247444 3.598731 -2.432711
H 4.545630 4.954218 0.564183
H -0.107355 -5.194307 -2.149847
H 1.233811 -5.339392 -0.975240
H 0.897861 -3.756433 -1.744511


