%chk=000207009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207009

0 1
O 0.761842 -0.080462 -0.216098
O -2.364534 -0.193858 0.880544
O 0.696183 -0.778721 1.959548
O 0.886214 3.853467 -1.115070
O -0.290552 2.050032 -0.966388
N 3.116429 -1.470379 0.460377
N 0.764117 2.655346 -0.899996
C 3.178435 -0.117365 0.157482
C 4.399557 0.605586 0.128178
C 1.946892 0.575291 -0.166094
C 1.981156 1.914622 -0.544218
C 4.398139 1.986715 -0.247064
C 3.230519 2.615105 -0.581103
C -0.756659 -1.762210 0.235930
C 5.595743 -0.104894 0.470059
C -2.109886 -1.362894 0.203046
C 0.276226 -0.917145 0.854493
C 5.524762 -1.436290 0.789676
C -0.390585 -2.974815 -0.371910
C -3.084214 -2.145882 -0.437430
C 4.248620 -2.094604 0.765054
C -1.356350 -3.767615 -0.987951
C -2.695101 -3.346240 -1.026044
C -3.561174 0.508818 0.603843
C -3.452708 1.617995 -0.239086
C -4.738084 0.152659 1.266203
C -4.590895 2.407696 -0.419031
C -5.862121 0.960148 1.065943
C -5.789709 2.078010 0.226463
H 5.345742 2.524961 -0.264291
H 3.210572 3.671666 -0.878675
H 6.545841 0.430981 0.470256
H 6.410902 -2.008818 1.060445
H 0.658950 -3.282087 -0.359354
H -4.120359 -1.815084 -0.476161
H 4.180820 -3.163675 1.006215
H -1.071957 -4.710083 -1.451367
H -3.441178 -3.967757 -1.525268
H -2.497373 1.858169 -0.718863
H -4.765352 -0.710528 1.926687
H -4.540849 3.285144 -1.064515
H -6.796910 0.717580 1.570266
H -6.671111 2.699916 0.077569


%chk=000207009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207009

0 1
O 1.349418 -0.466821 -0.725615
O -2.723529 0.396736 -0.291557
O -0.076907 0.921587 0.525587
O 1.665757 3.690058 -1.658275
O 0.657942 1.734334 -2.242339
N 3.401145 -1.664790 0.563667
N 1.570996 2.400851 -1.625639
C 3.570714 -0.341602 0.184770
C 4.790304 0.394208 0.436888
C 2.470545 0.316656 -0.485165
C 2.614684 1.664816 -0.868619
C 4.883242 1.768097 0.043965
C 3.815955 2.389539 -0.589870
C -0.908898 -1.179196 -0.470513
C 5.857734 -0.301178 1.092244
C -2.314758 -0.931695 -0.453343
C 0.060985 -0.107157 -0.151946
C 5.683151 -1.634654 1.464019
C -0.446225 -2.493476 -0.756026
C -3.227122 -1.982316 -0.713477
C 4.432236 -2.272829 1.180525
C -1.353095 -3.540242 -1.003489
C -2.744466 -3.278491 -0.982996
C -4.012286 0.738276 0.197666
C -4.625040 1.853463 -0.411093
C -4.600835 0.086423 1.305384
C -5.861754 2.315046 0.090442
C -5.840366 0.557856 1.792429
C -6.476576 1.667729 1.188171
H 5.804267 2.325218 0.246623
H 3.856395 3.437735 -0.895796
H 6.796849 0.225183 1.295956
H 6.476528 -2.195866 1.966733
H 0.632817 -2.668862 -0.757964
H -4.300987 -1.776113 -0.727347
H 4.270533 -3.317639 1.470776
H -0.983030 -4.548737 -1.211799
H -3.458962 -4.083201 -1.188747
H -4.123412 2.342771 -1.250986
H -4.094470 -0.755817 1.787485
H -6.342532 3.181459 -0.376405
H -6.301459 0.061994 2.653742
H -7.435488 2.029146 1.574232


