%chk=000207153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207153

0 1
O 0.445437 0.654947 0.519360
O 3.246962 -2.244015 -0.424511
N -2.675431 0.852852 -0.424589
C -3.344509 2.174637 -0.175629
C -3.684375 0.050805 -1.192359
C -4.873520 1.951381 -0.178651
C -5.093701 0.578294 -0.839690
C -2.263438 0.194996 0.860499
C -1.307529 -0.930557 0.560986
C 0.071120 -0.675965 0.359596
C 0.988425 -1.690452 0.057145
C -1.733381 -2.254003 0.462818
C 0.513607 -3.013520 -0.044453
C 2.425163 -1.390998 -0.154363
C -0.831325 -3.291126 0.163083
C 2.765212 0.041029 -0.000957
C 1.779176 0.983738 0.319635
C 4.086719 0.499541 -0.173310
C 2.060037 2.354026 0.474038
C 4.387478 1.848894 -0.024675
C 3.374018 2.771615 0.297370
H -3.042475 2.837685 -1.015450
H -2.992201 2.655647 0.753141
H -3.584308 -1.033154 -1.012276
H -3.459970 0.217198 -2.268555
H -5.389600 2.752706 -0.731228
H -5.280151 1.967778 0.845430
H -5.617551 -0.110202 -0.157383
H -5.721953 0.660580 -1.741014
H -3.122952 -0.171631 1.462524
H -1.739831 0.958050 1.486273
H -2.785835 -2.495738 0.622034
H 1.228388 -3.806750 -0.285683
H -1.196214 -4.314315 0.092000
H 4.862566 -0.230829 -0.425160
H 1.258468 3.047805 0.716766
H 5.409362 2.198804 -0.158487
H 3.625013 3.828043 0.408324


%chk=000207153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207153

0 1
O 0.414481 0.665349 0.498215
O 3.274979 -2.292931 -0.357726
N -2.657382 0.919451 -0.424418
C -3.351232 2.217681 -0.181754
C -3.595511 0.201772 -1.337356
C -4.876988 1.886145 -0.044466
C -5.052831 0.570465 -0.873635
C -2.346212 0.170664 0.831491
C -1.354045 -0.951461 0.577289
C 0.027658 -0.679879 0.379937
C 0.970538 -1.707657 0.103717
C -1.761284 -2.299162 0.515006
C 0.511519 -3.050854 0.033469
C 2.408131 -1.394851 -0.103222
C -0.842217 -3.348919 0.243318
C 2.758280 0.042705 0.008864
C 1.760220 1.010922 0.302512
C 4.096236 0.486663 -0.171233
C 2.070063 2.384335 0.415822
C 4.420929 1.847812 -0.060805
C 3.402217 2.796929 0.233247
H -3.188855 2.866038 -1.064392
H -2.927941 2.730385 0.698531
H -3.392786 -0.881812 -1.333096
H -3.424899 0.569731 -2.366575
H -5.509629 2.708636 -0.421567
H -5.144989 1.719941 1.014548
H -5.494144 -0.231581 -0.255266
H -5.717491 0.715853 -1.743174
H -3.253089 -0.261538 1.320881
H -1.905043 0.898903 1.535048
H -2.819081 -2.533887 0.685629
H 1.253392 -3.826691 -0.181944
H -1.193831 -4.384632 0.199807
H 4.851771 -0.273295 -0.396554
H 1.268407 3.094816 0.636390
H 5.453896 2.181997 -0.200873
H 3.653663 3.859752 0.316932


