%chk=000218523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218523

0 1
O -1.072942 0.001097 2.001317
O 5.595844 0.851318 -0.147655
O 5.344787 -1.082706 -1.084492
N -1.554126 0.014243 -0.236239
N 4.922349 -0.107505 -0.485596
C -3.033791 0.041003 -0.044994
C -3.621896 1.303460 -0.708202
C -3.658114 -1.233663 -0.650288
C -3.201246 2.587353 0.019350
C -3.286612 -2.491612 0.146070
C -3.838908 3.824243 -0.607636
C -3.947839 -3.739825 -0.432049
C -0.684681 -0.009134 0.846094
C 0.777356 -0.038115 0.472491
C 1.591558 1.036111 0.853212
C 1.310544 -1.140743 -0.207344
C 2.952278 1.018041 0.541703
C 2.670552 -1.169648 -0.519910
C 3.478016 -0.084836 -0.147166
H -3.237357 0.068769 1.063157
H -4.727828 1.228084 -0.710991
H -3.329777 1.359156 -1.773559
H -4.760811 -1.122842 -0.668658
H -3.357990 -1.352409 -1.708100
H -2.098050 2.686197 0.005893
H -3.480968 2.522431 1.090501
H -3.582748 -2.366745 1.207646
H -2.186704 -2.621032 0.159943
H -1.214329 0.025556 -1.191580
H -4.933451 3.781147 -0.568184
H -3.552802 3.941513 -1.658809
H -3.530988 4.735722 -0.081625
H -3.675266 -4.632306 0.143827
H -5.041276 -3.664787 -0.414957
H -3.647420 -3.916592 -1.470696
H 1.165053 1.878005 1.404765
H 0.670796 -1.981705 -0.481437
H 3.608638 1.847111 0.830205
H 3.111148 -2.023155 -1.047505


%chk=000218523-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218523

0 1
O -1.047010 0.393802 2.009871
O 5.772642 0.488278 0.371802
O 5.338113 -0.778824 -1.474768
N -1.611930 -0.017923 -0.216331
N 4.963662 -0.121116 -0.428147
C -3.079840 0.024493 -0.016654
C -3.696682 1.265810 -0.713800
C -3.728803 -1.296588 -0.505447
C -3.170782 2.616528 -0.179330
C -3.289206 -2.545443 0.290310
C -3.830114 3.824534 -0.878111
C -3.925297 -3.845257 -0.246701
C -0.700805 0.155865 0.808733
C 0.762117 0.061010 0.429096
C 1.695409 0.699295 1.286464
C 1.232416 -0.659790 -0.700852
C 3.073851 0.650257 1.012652
C 2.609615 -0.725555 -0.987143
C 3.509913 -0.060308 -0.127697
H -3.217014 0.120016 1.077026
H -4.795969 1.221313 -0.574998
H -3.520966 1.201409 -1.809784
H -4.829415 -1.184650 -0.433558
H -3.504187 -1.440741 -1.584963
H -2.072141 2.664280 -0.312203
H -3.350028 2.668763 0.912639
H -3.559343 -2.409140 1.356360
H -2.185043 -2.631179 0.261768
H -1.275918 -0.105859 -1.177935
H -4.926673 3.821562 -0.730089
H -3.639596 3.808510 -1.968235
H -3.439608 4.779516 -0.482074
H -3.602867 -4.723130 0.342087
H -5.029806 -3.797282 -0.202724
H -3.640233 -4.023339 -1.301182
H 1.310304 1.218851 2.169001
H 0.536168 -1.207681 -1.345619
H 3.809503 1.141062 1.654827
H 2.996565 -1.280149 -1.845788


