%chk=000216314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216314

0 1
O 0.402821 2.673676 0.432753
N 2.836897 0.183474 0.577971
N 0.004828 0.456271 0.954062
C 4.060767 -0.291568 1.306928
C 3.143205 0.474700 -0.863964
C 4.587205 -1.577328 0.647579
C 3.655828 -0.800015 -1.552475
C 4.895291 -1.352167 -0.837710
C 2.270986 1.398213 1.242859
C 0.811215 1.588002 0.805180
C -1.353171 0.367419 0.465744
C -2.353342 1.199248 1.014179
C -1.647643 -0.604268 -0.520922
C -3.676727 1.056042 0.544594
C -2.981815 -0.752793 -0.942504
C -3.975353 0.081367 -0.413136
C -2.005111 2.209975 2.056620
C -0.568533 -1.464365 -1.100335
C -4.778803 1.931145 1.054432
C -3.364038 -1.785283 -1.956891
H 3.770840 -0.505810 2.358410
H 4.865161 0.474417 1.338268
H 3.881591 1.296222 -0.987314
H 2.202769 0.815006 -1.352006
H 3.831923 -2.381728 0.753255
H 5.490022 -1.924546 1.182335
H 3.884382 -0.581574 -2.611844
H 2.855804 -1.566805 -1.557247
H 5.216596 -2.299774 -1.308278
H 5.743891 -0.650897 -0.949644
H 2.298152 1.276190 2.348300
H 2.821767 2.340299 1.020529
H 0.470851 -0.446976 1.107852
H -5.001975 -0.029835 -0.758158
H -2.875607 2.621657 2.576345
H -1.462380 3.056052 1.590642
H -1.340419 1.789786 2.823476
H -0.765142 -1.714149 -2.152030
H -0.482878 -2.410725 -0.548784
H 0.418699 -0.979737 -1.087377
H -4.909279 1.818877 2.139922
H -4.563162 2.991110 0.853326
H -5.746083 1.706302 0.588020
H -3.042568 -2.788953 -1.646179
H -4.448269 -1.831449 -2.120894
H -2.900590 -1.573506 -2.931091


%chk=000216314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216314

0 1
O 0.295275 3.055685 0.351280
N 2.825748 0.387831 0.496941
N 0.140255 0.697415 0.472866
C 3.898728 -0.097791 1.409553
C 3.241907 0.306519 -0.933018
C 4.275071 -1.557509 1.085232
C 3.605563 -1.138680 -1.326116
C 4.703385 -1.700685 -0.393719
C 2.311272 1.735628 0.843389
C 0.808167 1.909348 0.513602
C -1.255941 0.473948 0.225026
C -2.239222 1.120756 1.028957
C -1.601871 -0.441490 -0.815122
C -3.612811 0.879073 0.734033
C -2.975492 -0.701109 -1.070656
C -3.950690 -0.022307 -0.301117
C -1.835403 2.015190 2.184031
C -0.501211 -1.102307 -1.629608
C -4.721171 1.557801 1.522886
C -3.421785 -1.666184 -2.159009
H 3.529854 -0.019480 2.449113
H 4.812912 0.543369 1.327534
H 4.120295 0.974841 -1.120452
H 2.409892 0.681288 -1.557517
H 3.397989 -2.204769 1.281642
H 5.088500 -1.884206 1.760827
H 3.941246 -1.156644 -2.380490
H 2.698688 -1.770936 -1.256286
H 4.911139 -2.760071 -0.634744
H 5.647291 -1.141073 -0.559108
H 2.423039 1.897182 1.932953
H 2.855367 2.561010 0.335330
H 0.804285 -0.097264 0.509951
H -5.011415 -0.208154 -0.512321
H -2.632927 2.085530 2.941573
H -1.591560 3.033179 1.827478
H -0.924078 1.630986 2.677476
H -0.899011 -1.595444 -2.530077
H 0.038735 -1.876800 -1.046643
H 0.250252 -0.358715 -1.952646
H -4.727337 1.240350 2.583894
H -4.611843 2.658145 1.517491
H -5.710042 1.313996 1.098207
H -3.008444 -2.681412 -2.008076
H -4.521610 -1.752994 -2.174664
H -3.102389 -1.331844 -3.165079


