%chk=000216508.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216508

1 1
O -2.089375 1.055804 0.484488
N 0.857931 -0.042223 0.000039
C 0.489070 -0.345404 1.468191
C -1.612532 -0.263482 0.192053
C -0.442826 -0.008790 -0.764686
C -0.958177 -0.831025 1.473164
C 1.586475 1.310433 -0.117363
C 1.730895 -1.172988 -0.578249
C -2.700055 -1.146843 -0.381899
C -0.517959 0.248690 -2.064746
C 0.739389 2.468994 0.371818
C 3.058607 -1.333096 0.135531
H 0.591230 0.583043 2.079233
H 1.190062 -1.091375 1.900826
H -1.027691 -1.934761 1.511976
H -1.497612 -0.467982 2.374051
H 2.537116 1.248606 0.463135
H 1.869967 1.460873 -1.185293
H 1.142619 -2.121522 -0.521520
H 1.900753 -0.971695 -1.662809
H -2.313199 -2.095401 -0.780722
H -3.456118 -1.417244 0.372089
H -3.243115 -0.658758 -1.205847
H 0.318144 0.459725 -2.721997
H -1.472801 0.279510 -2.592608
H -0.310093 2.429445 0.023353
H 0.694576 2.542602 1.467716
H 1.145739 3.428930 0.012535
H 3.605236 -2.205342 -0.270268
H 3.734747 -0.476126 0.006815
H 2.958855 -1.521423 1.214607
H -3.063561 1.081828 0.618187


%chk=000216508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216508

1 1
O -2.060755 1.025248 0.703899
N 0.835976 -0.018320 0.044467
C 0.404386 -0.300933 1.509842
C -1.633995 -0.315158 0.218001
C -0.480747 -0.011624 -0.739510
C -0.921307 -1.060094 1.380770
C 1.616001 1.321537 -0.074989
C 1.719066 -1.192281 -0.488803
C -2.805909 -1.079922 -0.407844
C -0.521779 0.237762 -2.059077
C 0.786567 2.580934 0.189298
C 3.113493 -1.306879 0.136833
H 0.241278 0.672172 1.993854
H 1.208547 -0.847513 2.021201
H -0.768738 -2.126910 1.136417
H -1.508426 -1.002450 2.311541
H 2.450820 1.241789 0.641103
H 2.036508 1.334310 -1.096091
H 1.127623 -2.108039 -0.317758
H 1.792511 -1.039281 -1.578040
H -2.479058 -2.034929 -0.853039
H -3.563993 -1.311832 0.362796
H -3.296726 -0.477819 -1.191872
H 0.358269 0.473653 -2.666584
H -1.480867 0.228006 -2.584375
H -0.060694 2.683132 -0.505591
H 0.388867 2.631057 1.215765
H 1.453290 3.450695 0.051000
H 3.584866 -2.218326 -0.272008
H 3.771732 -0.461699 -0.120324
H 3.094533 -1.423883 1.233687
H -2.955044 0.950602 1.127230


