%chk=000216988.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216988

0 1
O 6.484274 1.029747 0.046947
N -2.338611 -1.443958 0.780461
N -0.632352 -2.017805 -0.621155
C -0.999046 -1.145579 0.451847
C 1.180779 -0.829803 -0.039185
C -3.222666 -0.511595 1.504125
C 0.119481 -0.400740 0.822516
C 0.715606 -1.822984 -0.923735
C -2.800437 -2.390251 -0.179412
C -1.755812 -2.787522 -0.993383
C 2.545075 -0.308364 -0.009393
C -3.878520 0.512223 0.605020
C 2.777974 1.060757 0.188028
C 3.642814 -1.179483 -0.177607
C -5.276230 0.593966 0.543003
C -3.092430 1.391118 -0.154105
C 4.078997 1.573260 0.216956
C 4.943898 -0.694855 -0.152325
C 5.147686 0.686937 0.045589
C -5.883233 1.554585 -0.271815
C -3.704204 2.346005 -0.969778
C -5.099492 2.430742 -1.028667
C 6.823519 2.422164 0.245871
H -2.616967 0.008094 2.288352
H -3.984518 -1.117608 2.050380
H 0.194136 0.321255 1.603500
H 1.233421 -2.352916 -1.694686
H -3.820060 -2.733269 -0.178081
H -1.728095 -3.525664 -1.771915
H 1.933021 1.738044 0.315466
H 3.464742 -2.245721 -0.321046
H -5.894413 -0.085627 1.126090
H -2.003171 1.322844 -0.115622
H 4.237993 2.634455 0.368545
H 5.802068 -1.350115 -0.278023
H -6.969253 1.618157 -0.317322
H -3.091606 3.024947 -1.561705
H -5.573676 3.176748 -1.663822
H 7.919962 2.395005 0.201667
H 6.479396 2.761037 1.227111
H 6.413848 3.032769 -0.563694


%chk=000216988-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216988

0 1
O 7.066560 0.604531 0.366556
N -2.175706 -0.642636 0.151561
N -0.413094 -1.736303 -0.736154
C -0.778119 -0.628636 0.058635
C 1.488700 -0.664661 -0.134328
C -2.962847 0.254779 1.008187
C 0.374858 0.061736 0.452012
C 0.978624 -1.767596 -0.861653
C -2.652865 -1.762590 -0.563129
C -1.576595 -2.436045 -1.120718
C 2.914977 -0.311442 0.002656
C -4.258919 0.734066 0.360998
C 3.319097 0.982588 0.424386
C 3.946828 -1.255640 -0.280113
C -5.461178 0.747977 1.108125
C -4.269941 1.213975 -0.973546
C 4.680071 1.333745 0.563843
C 5.305007 -0.922732 -0.156145
C 5.680906 0.376260 0.269558
C -6.657291 1.241914 0.537420
C -5.463165 1.704238 -1.546118
C -6.660808 1.722020 -0.791554
C 7.496829 1.928832 0.814586
H -2.314392 1.123062 1.232803
H -3.189245 -0.238056 1.975593
H 0.434889 0.931220 1.102147
H 1.483730 -2.513132 -1.468791
H -3.714664 -1.977898 -0.637281
H -1.559165 -3.322559 -1.745491
H 2.556825 1.742081 0.630914
H 3.677488 -2.273863 -0.582485
H -5.464237 0.370401 2.138443
H -3.344032 1.194426 -1.560108
H 4.942329 2.345234 0.889238
H 6.092081 -1.652330 -0.370836
H -7.581538 1.247042 1.125846
H -5.460812 2.072967 -2.577917
H -7.586488 2.102945 -1.237122
H 8.596159 1.887366 0.825283
H 7.122316 2.152668 1.833079
H 7.160723 2.721044 0.116618


