%chk=000288432.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288432

0 1
O 5.240780 1.542488 0.522233
N -0.310796 1.196977 0.255458
C -1.079416 0.181075 0.028722
C -2.552324 0.417944 0.027063
C -0.656218 -1.229374 -0.226495
C 1.113893 1.160214 0.274808
C -3.415330 -0.541613 0.581140
C -0.971733 -1.842007 -1.447532
C -3.079280 1.598057 -0.520456
C 0.052069 -1.937427 0.754375
C 1.892002 0.512878 -0.698356
C 1.739167 1.925122 1.289864
C -4.794265 -0.320868 0.580903
C -0.572060 -3.159398 -1.686931
C -4.460799 1.810197 -0.521035
C 0.443946 -3.256733 0.510897
C 3.885373 1.358250 0.350018
C -5.318870 0.852661 0.027978
C 0.134308 -3.867498 -0.708740
C 3.286473 0.611525 -0.669677
C 3.121086 2.019305 1.337415
C 6.133155 0.925192 -0.435588
H -3.010048 -1.456856 1.012731
H -1.530814 -1.291650 -2.203959
H -2.406250 2.351819 -0.933473
H 0.299884 -1.457351 1.701182
H 1.411079 -0.065804 -1.487542
H 1.122317 2.438141 2.030221
H -5.461910 -1.064132 1.013151
H -0.814254 -3.635786 -2.635618
H -4.867089 2.726300 -0.946543
H 0.993532 -3.807938 1.272503
H 3.875857 0.111631 -1.430704
H 3.628936 2.593741 2.109477
H -6.394353 1.020604 0.027842
H 0.442429 -4.894660 -0.896702
H 5.952913 1.326373 -1.436970
H 6.029433 -0.163054 -0.406061
H 7.116177 1.236856 -0.058800


%chk=000288432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288432

0 1
O 5.299198 1.586187 0.438721
N -0.342910 1.131542 0.362910
C -1.132010 0.114409 0.075675
C -2.599368 0.399159 -0.007967
C -0.662601 -1.304256 -0.131829
C 1.074296 1.129189 0.340999
C -3.571401 -0.631814 0.115154
C -1.045655 -2.042237 -1.283274
C -3.043912 1.739411 -0.188987
C 0.179114 -1.923921 0.830092
C 1.862393 0.527357 -0.679715
C 1.740082 1.896720 1.342184
C -4.949801 -0.329223 0.060683
C -0.583287 -3.363128 -1.477544
C -4.418645 2.038426 -0.248832
C 0.626865 -3.248843 0.644825
C 3.910702 1.395792 0.338865
C -5.379667 1.004574 -0.124867
C 0.252541 -3.971957 -0.512696
C 3.266374 0.667470 -0.692720
C 3.138322 2.011067 1.357697
C 6.139566 0.977834 -0.593908
H -3.249849 -1.666625 0.272000
H -1.697935 -1.575910 -2.030446
H -2.286206 2.524811 -0.270476
H 0.477137 -1.363940 1.722976
H 1.373059 -0.035149 -1.481053
H 1.131655 2.394342 2.103937
H -5.687068 -1.132909 0.167024
H -0.878756 -3.916205 -2.376265
H -4.745668 3.074371 -0.393142
H 1.268051 -3.715929 1.400541
H 3.839552 0.207595 -1.503628
H 3.654396 2.584594 2.133623
H -6.449536 1.237504 -0.171949
H 0.605185 -4.999109 -0.658872
H 5.905056 1.384792 -1.597169
H 6.028725 -0.124252 -0.606716
H 7.171006 1.243464 -0.319053


