%chk=000199269.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199269

0 1
O 1.083718 -0.657086 -2.094466
O 2.085477 2.455994 1.187937
N -4.319246 0.337104 -0.101977
N 1.330652 1.112458 -0.576922
C -5.629726 -1.588998 0.718156
C -4.549670 -2.116832 -0.244009
C -5.602155 -0.050705 0.576801
C -3.927291 -0.867677 -0.906918
C -3.270358 0.721982 0.906242
C -2.059229 1.142455 0.238207
C 2.818093 -0.668580 -0.347091
C 3.125693 0.286546 0.661817
C 0.157687 1.926293 -0.986287
C 1.651783 -0.168830 -1.154475
C 2.171346 1.442696 0.547205
C -1.049382 1.498240 -0.318081
C 3.543697 -1.833030 -0.473341
C 4.159863 0.081090 1.548791
C 4.605811 -2.048186 0.437502
C 4.906080 -1.115305 1.423121
H -6.624285 -1.991599 0.467954
H -5.421040 -1.897492 1.755270
H -3.786831 -2.699690 0.297408
H -4.978110 -2.793417 -1.000610
H -6.421060 0.297174 -0.090213
H -5.739773 0.462170 1.544163
H -2.831387 -0.955750 -1.022795
H -4.343753 -0.710879 -1.925350
H -3.678296 1.578666 1.502391
H -3.035674 -0.095681 1.632134
H 0.037232 1.835694 -2.098549
H 0.376975 3.001178 -0.748902
H 3.312001 -2.566812 -1.246340
H 4.399296 0.811479 2.322711
H 5.192689 -2.964462 0.356039
H 5.728772 -1.298709 2.116077


%chk=000199269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199269

0 1
O 0.781474 -0.548343 -1.919169
O 2.327912 2.493914 1.329521
N -4.388488 0.294813 -0.334109
N 1.293963 1.185537 -0.370038
C -5.464201 -1.605155 0.798110
C -4.201180 -2.129684 0.035583
C -5.702128 -0.171406 0.204515
C -3.803458 -0.949181 -0.920433
C -3.538374 0.899930 0.740606
C -2.226406 1.346302 0.243453
C 2.690362 -0.675294 -0.319106
C 3.156084 0.238850 0.657772
C 0.191467 2.109786 -0.701088
C 1.489832 -0.082082 -0.994427
C 2.268717 1.446882 0.640025
C -1.113583 1.689874 -0.159933
C 3.331784 -1.903329 -0.537297
C 4.278822 -0.045310 1.449381
C 4.467683 -2.201581 0.259881
C 4.933815 -1.286748 1.238058
H -6.344408 -2.253943 0.645840
H -5.275930 -1.556306 1.885762
H -3.382472 -2.363445 0.739235
H -4.415197 -3.049754 -0.535796
H -6.414840 -0.229710 -0.639527
H -6.105378 0.548482 0.937880
H -2.716151 -0.836180 -1.061446
H -4.258652 -1.101183 -1.916895
H -4.088893 1.771484 1.144028
H -3.361498 0.207576 1.603150
H 0.125664 2.185405 -1.802315
H 0.481509 3.098279 -0.298426
H 2.963595 -2.600481 -1.296443
H 4.630771 0.669220 2.199971
H 4.994214 -3.151589 0.119160
H 5.813169 -1.544129 1.838117


