%chk=000296698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296698

0 1
O 1.087843 3.038902 0.221652
N -1.617258 0.407006 0.880662
C -0.339910 -0.090334 0.223421
C -2.695896 0.858708 -0.053891
C 0.493249 0.907749 1.096640
C -0.850271 1.496390 1.598194
C -3.229572 -0.379603 -0.807560
C -3.821547 1.506139 0.782990
C -4.416647 0.001920 -1.700015
C -5.008214 1.884778 -0.111971
C -0.063180 -1.547383 0.475655
C -5.534945 0.668766 -0.886740
C 1.371627 1.862090 0.320099
C 0.767464 -2.245948 -0.415734
C -0.606968 -2.214330 1.582338
C 2.596356 1.305813 -0.331159
C 1.053746 -3.595314 -0.195122
C -0.320329 -3.565460 1.796956
C 3.120577 0.047275 -0.004700
C 3.242961 2.098067 -1.295379
C 0.511429 -4.257387 0.911448
C 4.274031 -0.417036 -0.642655
C 4.393278 1.630659 -1.933999
C 4.909239 0.372008 -1.607552
H -0.269669 0.137308 -0.864334
H -2.319971 1.607931 -0.798103
H 1.075534 0.412704 1.898601
H -1.013353 1.433070 2.684952
H -1.034939 2.533332 1.267914
H -3.533599 -1.154064 -0.075016
H -2.429340 -0.840923 -1.413718
H -3.445296 2.400614 1.311170
H -4.147686 0.800212 1.572242
H -4.806775 -0.900519 -2.206978
H -4.080615 0.683548 -2.504721
H -4.706949 2.679752 -0.821016
H -5.817560 2.317323 0.505572
H -6.358988 0.975190 -1.556834
H -5.968884 -0.064265 -0.179513
H 1.190405 -1.740417 -1.282735
H -1.266322 -1.673590 2.265799
H 1.697110 -4.133246 -0.888815
H -0.748683 -4.079464 2.655743
H 2.634737 -0.578705 0.746943
H 2.835982 3.085437 -1.533835
H 0.733695 -5.308934 1.080291
H 4.678762 -1.394827 -0.385609
H 4.889324 2.247414 -2.681858
H 5.808215 0.006746 -2.103623


%chk=000296698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296698

0 1
O 1.179871 2.868878 -0.880445
N -1.618028 0.630574 0.647228
C -0.457847 0.054833 -0.131392
C -2.906094 0.822279 -0.065892
C 0.490243 1.100676 0.624185
C -0.812950 1.868005 0.983752
C -3.504299 -0.536498 -0.498974
C -3.896401 1.584238 0.846031
C -4.871130 -0.347475 -1.199522
C -5.264529 1.781019 0.150803
C -0.163849 -1.420138 0.032737
C -5.864367 0.428021 -0.301047
C 1.510080 1.821094 -0.242735
C 0.464811 -2.149140 -1.008698
C -0.476897 -2.084538 1.245973
C 2.901142 1.264456 -0.357803
C 0.782698 -3.515670 -0.840284
C -0.162217 -3.450312 1.415680
C 3.275806 0.013838 0.205310
C 3.870803 2.020070 -1.073671
C 0.471248 -4.170516 0.374082
C 4.595091 -0.465645 0.057810
C 5.188345 1.544004 -1.213068
C 5.554711 0.298254 -0.645838
H -0.501148 0.325498 -1.213233
H -2.743802 1.441051 -0.990668
H 0.952069 0.623222 1.502485
H -0.920731 2.219957 2.022938
H -0.974388 2.707955 0.275514
H -3.624734 -1.168254 0.403748
H -2.803593 -1.069162 -1.170619
H -3.470935 2.566099 1.131908
H -4.025421 1.000010 1.779379
H -5.290368 -1.334768 -1.473697
H -4.725091 0.211862 -2.147115
H -5.135252 2.436774 -0.735219
H -5.962054 2.302251 0.834561
H -6.818768 0.592322 -0.838059
H -6.098887 -0.183179 0.594951
H 0.705835 -1.644162 -1.952987
H -0.989148 -1.515332 2.029897
H 1.266729 -4.068418 -1.653497
H -0.414617 -3.956886 2.354426
H 2.543863 -0.595973 0.744149
H 3.559690 2.976118 -1.507758
H 0.713054 -5.231430 0.505101
H 4.873288 -1.433277 0.489079
H 5.930365 2.136048 -1.759944
H 6.580003 -0.073535 -0.753464


