%chk=000203154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203154

0 1
O -8.417756 0.225994 -0.287514
O -1.495725 1.349925 0.291844
O 5.222595 0.955696 0.557656
O 3.598962 -2.749293 -0.341559
O 5.733730 -1.126012 -0.152221
N -5.592718 0.221928 0.133399
N -0.813254 -0.819007 -0.111037
C -6.168083 0.293888 -1.250349
C -6.516037 0.895742 1.105137
C -4.222035 0.821473 0.183049
C -7.540410 -0.399017 -1.245657
C -7.881191 0.190645 1.050485
C -3.211252 -0.310421 -0.089160
C -1.796472 0.200473 0.058208
C 0.597362 -0.653796 -0.038945
C 1.387202 -1.803896 -0.232989
C 1.203713 0.594856 0.212711
C 3.414810 -0.434340 0.072869
C 2.783403 -1.674658 -0.172112
C 2.586746 0.690326 0.266561
C 4.877853 -0.317668 0.119726
C 6.642811 1.277683 0.645073
C 7.157438 1.655551 -0.742314
C 8.565316 2.233727 -0.666035
H -6.277322 1.337261 -1.619155
H -5.481864 -0.231332 -1.946610
H -6.645085 1.980326 0.899026
H -6.085163 0.799320 2.124695
H -4.019147 1.254972 1.188435
H -4.066367 1.652451 -0.539182
H -7.456303 -1.474200 -1.008776
H -8.084696 -0.254777 -2.195339
H -8.652144 0.728756 1.629420
H -7.812788 -0.860207 1.382855
H -3.375949 -0.730896 -1.102741
H -3.415615 -1.150123 0.612147
H -1.137525 -1.772472 -0.297771
H 0.940013 -2.771241 -0.424397
H 0.586568 1.486923 0.366428
H 3.061163 1.660432 0.463575
H 6.627711 2.125945 1.351523
H 7.182324 0.416954 1.077507
H 7.143503 0.757587 -1.396281
H 6.463683 2.380068 -1.213095
H 8.600697 3.145879 -0.059456
H 9.274029 1.517513 -0.232501
H 8.937389 2.491686 -1.665081
H 3.097580 -3.589624 -0.512055


%chk=000203154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203154

0 1
O -8.502333 0.183876 -0.412348
O -1.574699 1.114754 1.120639
O 5.313230 0.796928 0.643154
O 3.489378 -2.469118 -1.470591
O 5.733775 -1.054678 -0.714573
N -5.668219 0.296621 0.248301
N -0.850689 -0.732413 -0.138037
C -6.161613 -0.479817 -0.919881
C -6.576847 1.445610 0.515119
C -4.260681 0.735572 0.106248
C -7.604323 -0.951859 -0.672039
C -8.009022 0.941806 0.750606
C -3.266113 -0.436405 0.243717
C -1.833454 0.072699 0.452715
C 0.562047 -0.587583 -0.101731
C 1.331477 -1.565778 -0.780056
C 1.220617 0.477659 0.570848
C 3.423628 -0.433486 -0.132694
C 2.743253 -1.497836 -0.801157
C 2.622842 0.529836 0.540625
C 4.907060 -0.312530 -0.133912
C 6.779005 1.052428 0.694046
C 7.232475 1.920710 -0.489112
C 8.735104 2.264311 -0.384781
H -6.129995 0.133971 -1.856550
H -5.519226 -1.367340 -1.072080
H -6.581994 2.170695 -0.337307
H -6.220667 1.979372 1.416185
H -4.033825 1.451855 0.915750
H -4.082396 1.269905 -0.861636
H -7.621128 -1.648813 0.193856
H -8.015496 -1.455794 -1.562420
H -8.711345 1.782432 0.874644
H -8.033361 0.296508 1.655082
H -3.318349 -1.120518 -0.625171
H -3.562532 -1.018993 1.138764
H -1.198218 -1.540196 -0.660387
H 0.827946 -2.394187 -1.299335
H 0.633366 1.232532 1.093428
H 3.141993 1.343024 1.052922
H 6.925622 1.570535 1.657072
H 7.311988 0.084209 0.696066
H 7.033869 1.375561 -1.429908
H 6.629693 2.848371 -0.509377
H 8.957861 2.824392 0.543126
H 9.355351 1.348593 -0.385944
H 9.054912 2.887554 -1.238698
H 2.891730 -3.143973 -1.883193


