%chk=000203180.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203180

0 1
O -2.952073 0.612927 2.858398
O 3.495061 0.956239 0.546272
O 0.663053 0.765752 -2.580533
O 3.151065 0.883832 -1.691013
N -5.574657 -0.087423 0.544222
N -2.892883 0.682272 0.546710
C -7.380443 -1.847428 -0.946933
C -5.992087 -2.307622 -0.486762
C -7.396601 -0.324476 -1.124303
C -5.559157 -1.569428 0.789729
C -6.945273 0.390134 0.160302
C -5.075534 0.646737 1.745556
C -3.545370 0.627573 1.799250
C 6.980267 -0.467385 0.095631
C 7.493593 -1.889453 -0.167056
C 5.448710 -0.418581 0.072989
C 9.027571 -1.945544 -0.144157
C -1.493483 0.722676 0.322369
C 4.943431 0.997878 0.322848
C 9.543416 -3.358831 -0.405258
C -1.060924 0.717966 -1.013185
C -0.555424 0.778005 1.385290
C 1.271073 0.831164 -0.225681
C 0.317199 0.773130 -1.276560
C 0.796266 0.831523 1.105350
C 2.685112 0.886900 -0.553767
H -7.650403 -2.344161 -1.897690
H -8.148301 -2.155324 -0.212096
H -5.251668 -2.123743 -1.291144
H -5.985632 -3.398071 -0.303522
H -8.408324 0.022526 -1.404160
H -6.726897 -0.039969 -1.960830
H -4.519762 -1.861757 1.057057
H -6.208595 -1.868947 1.640458
H -7.694487 0.231121 0.965488
H -6.888379 1.484935 -0.024781
H -5.394797 1.714958 1.706400
H -5.456239 0.251851 2.716563
H 7.390927 0.225091 -0.665618
H 7.357650 -0.107035 1.072437
H -3.493885 0.619944 -0.294239
H 7.081279 -2.586662 0.587618
H 7.119817 -2.251340 -1.144720
H 5.064827 -0.780859 -0.904387
H 5.025981 -1.106427 0.832333
H 9.403728 -1.585513 0.833422
H 9.441189 -1.251495 -0.902018
H 5.286048 1.426030 1.281860
H 5.157294 1.683856 -0.515314
H 10.638594 -3.390115 -0.388184
H 9.183234 -4.066630 0.350007
H 9.220210 -3.732302 -1.383780
H -1.750174 0.674264 -1.852826
H -0.907496 0.776340 2.422697
H 1.529248 0.875150 1.918386
H 1.688703 0.808345 -2.725722


%chk=000203180-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203180

0 1
O -3.086726 0.738285 3.264509
O 3.422983 0.966919 0.442881
O 0.407119 0.311133 -2.479206
O 2.882542 0.590259 -1.793685
N -5.585643 -0.078097 0.676648
N -2.999156 0.478482 0.908127
C -7.169690 -1.542625 -1.327407
C -5.882995 -2.138379 -0.712078
C -7.113307 0.002091 -1.295540
C -5.638142 -1.570554 0.699653
C -6.841125 0.514333 0.133044
C -5.174558 0.483122 1.986120
C -3.636249 0.567470 2.137496
C 6.979195 -0.432699 -0.173160
C 7.605982 -1.840985 -0.060423
C 5.463239 -0.432641 0.135246
C 9.117497 -1.862766 -0.383114
C -1.625588 0.550926 0.596929
C 4.871299 0.980236 0.065027
C 9.737787 -3.270739 -0.254188
C -1.256542 0.403107 -0.761610
C -0.626829 0.765680 1.599241
C 1.114889 0.681746 -0.144259
C 0.099465 0.464829 -1.142267
C 0.716719 0.827572 1.214219
C 2.513604 0.736254 -0.572694
H -7.303646 -1.901475 -2.364868
H -8.050473 -1.891612 -0.749471
H -5.015023 -1.894579 -1.355885
H -5.950202 -3.241170 -0.653748
H -8.062464 0.435746 -1.663657
H -6.304022 0.356920 -1.963361
H -4.679836 -1.944227 1.106159
H -6.448842 -1.918028 1.387627
H -7.713989 0.263906 0.786445
H -6.731022 1.614578 0.131011
H -5.561153 1.515776 2.082358
H -5.562007 -0.087669 2.857400
H 7.150315 -0.037149 -1.195703
H 7.502755 0.255810 0.522898
H -3.698277 0.318083 0.153290
H 7.445169 -2.232871 0.965573
H 7.075626 -2.534549 -0.745419
H 4.936329 -1.082620 -0.588572
H 5.286840 -0.850293 1.145543
H 9.645505 -1.161076 0.294656
H 9.276206 -1.480291 -1.412120
H 5.326935 1.653234 0.810215
H 4.967863 1.406365 -0.949306
H 10.816618 -3.261584 -0.495348
H 9.624711 -3.661293 0.774760
H 9.244265 -3.985330 -0.939657
H -2.006656 0.239653 -1.542085
H -0.931035 0.875697 2.641118
H 1.494811 0.991688 1.965246
H 1.424525 0.378000 -2.571203


