%chk=000289852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289852

0 1
O 7.186662 -2.323566 0.819531
O 7.190181 2.304163 0.637497
O -7.187986 -2.369663 -0.641197
O -7.184510 2.258164 -0.820704
N 6.876096 -0.002948 0.894183
N -6.873924 -0.062411 -0.896627
C 0.544254 -0.011681 0.540390
C -0.542087 -0.053180 -0.542850
C 1.949644 -0.036837 -0.075515
C -1.947477 -0.028094 0.073055
C 3.035810 0.004536 1.008043
C -3.033639 -0.069508 -1.010503
C 4.438423 -0.020625 0.388876
C -4.436251 -0.044427 -0.391336
C 5.515767 0.021256 1.483257
C -5.513596 -0.086284 -1.485716
C 7.588400 -1.215134 0.582037
C 7.590225 1.179892 0.487840
C -7.588038 -1.245479 -0.490918
C -7.586244 1.149598 -0.583832
C 8.871345 -0.753830 -0.052657
C 8.872427 0.668211 -0.108592
C -8.870249 -0.734135 0.105781
C -8.869181 0.687936 0.050621
C 9.933251 -1.488451 -0.532782
C 9.935418 1.361236 -0.644874
C -9.933235 -1.427463 0.641682
C -9.931093 1.422285 0.531147
C 11.026889 -0.779409 -1.085771
C 11.027945 0.609289 -1.140395
C -11.025770 -0.675796 1.137612
C -11.024726 0.712932 1.083746
H 0.420041 -0.868469 1.230650
H 0.421405 0.896565 1.161658
H -0.419209 -0.961399 -1.164153
H -0.417903 0.803637 -1.233080
H 2.073490 0.820123 -0.765846
H 2.072066 -0.945150 -0.697009
H -2.071282 -0.885067 0.763379
H -2.069940 0.880205 0.694560
H 2.910478 -0.853875 1.696876
H 2.911804 0.914086 1.628049
H -2.909590 -0.979046 -1.630519
H -2.908351 0.788915 -1.699328
H 4.566012 0.837699 -0.300350
H 4.564713 -0.930181 -0.231435
H -4.563807 -0.902786 0.297852
H -4.562577 0.865097 0.229019
H 5.417468 0.947146 2.096118
H 5.415934 -0.853766 2.166563
H -5.413905 0.788878 -2.168859
H -5.415154 -1.012047 -2.098749
H 9.936538 -2.578363 -0.490908
H 9.940365 2.451064 -0.688735
H -9.938171 -2.517314 0.684952
H -9.934393 2.512220 0.489862
H 11.878178 -1.341785 -1.472624
H 11.880065 1.138247 -1.570173
H -11.877885 -1.204997 1.567101
H -11.876022 1.275089 1.470903


%chk=000289852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289852

0 1
O 7.258819 -2.281712 1.066932
O 7.334330 2.365039 0.303196
O -7.315823 -2.349946 -0.960368
O -7.284106 2.326755 -0.403603
N 6.978532 0.069059 0.820160
N -6.983006 0.003147 -0.822389
C 0.566525 0.094736 0.492579
C -0.565959 0.009688 -0.554997
C 1.980530 0.014918 -0.125319
C -1.977577 0.041195 0.072868
C 3.107472 0.142333 0.924148
C -3.112280 0.026821 -0.975489
C 4.519203 0.031790 0.307880
C -4.518233 0.001239 -0.336692
C 5.622713 0.182858 1.379758
C -5.633362 0.062246 -1.405121
C 7.687840 -1.160961 0.694471
C 7.725853 1.171105 0.311160
C -7.716136 -1.204895 -0.632763
C -7.699939 1.142071 -0.352803
C 8.997640 -0.807380 0.054844
C 9.020383 0.590163 -0.174893
C -9.008923 -0.795553 0.007877
C -8.999065 0.610816 0.176214
C 10.081662 -1.624615 -0.297282
C 10.127829 1.216916 -0.764545
C -10.104584 -1.573274 0.409830
C -10.084648 1.286244 0.752691
C 11.207600 -1.000370 -0.895877
C 11.230323 0.398584 -1.125939
C -11.208571 -0.899537 0.995495
C -11.198633 0.508264 1.164454
H 0.444507 -0.724019 1.232398
H 0.467475 1.043696 1.060170
H -0.449513 -0.921614 -1.147776
H -0.464155 0.850409 -1.272887
H 2.095708 0.815478 -0.885354
H 2.090435 -0.947656 -0.666700
H -2.094330 -0.827929 0.753277
H -2.077618 0.947708 0.705489
H 2.979160 -0.645517 1.695572
H 3.007958 1.115487 1.448836
H -2.991439 -0.857032 -1.636023
H -3.017308 0.921234 -1.626260
H 4.653865 0.814556 -0.463669
H 4.632804 -0.949123 -0.193185
H -4.639729 -0.922615 0.261561
H -4.631809 0.859381 0.353869
H 5.547661 1.172613 1.865526
H 5.516119 -0.604055 2.148354
H -5.558701 1.004528 -1.977831
H -5.541398 -0.790112 -2.102569
H 10.053151 -2.703197 -0.113595
H 10.134363 2.297821 -0.936244
H -10.101163 -2.659170 0.273065
H -10.066235 2.373505 0.876844
H 12.072986 -1.606270 -1.185107
H 12.112850 0.852324 -1.589506
H -12.082252 -1.473487 1.322473
H -12.064705 1.000614 1.619591


