%chk=000218529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218529

0 1
O -1.239013 -0.714440 1.381564
N -2.112408 0.413472 -0.421170
N 0.231801 0.123895 -0.228975
C -3.521767 0.220374 0.029433
C -4.204194 1.595287 0.187339
C -4.282963 -0.650781 -0.992124
C -3.619003 2.397001 1.357552
C -3.776022 -2.099006 -1.003506
C -4.338016 3.730650 1.542778
C -4.577803 -2.969576 -1.967412
C -1.055771 -0.113720 0.334913
C 1.469969 -0.294558 0.346892
C 2.685212 0.052111 -0.365484
C 3.926026 -0.358539 0.189494
C 1.531392 -1.003904 1.531389
C 2.695750 0.784163 -1.594141
C 3.956063 -1.091427 1.416172
C 2.785269 -1.400716 2.062060
C 5.142449 -0.029606 -0.493731
C 3.874008 1.087255 -2.229741
C 5.117171 0.673693 -1.670640
H -3.497781 -0.304874 1.026394
H -4.127385 2.180620 -0.747730
H -5.289525 1.443069 0.351214
H -4.211284 -0.217249 -2.006797
H -5.362570 -0.640612 -0.742858
H -2.537222 2.572198 1.192490
H -3.682464 1.802290 2.291256
H -3.826471 -2.524531 0.019383
H -2.702912 -2.122691 -1.279040
H -1.972842 0.891711 -1.300534
H -5.403549 3.590978 1.757440
H -4.262058 4.361055 0.650028
H -3.908925 4.295333 2.379027
H -4.203076 -4.000085 -1.969907
H -5.637797 -3.009675 -1.692294
H -4.518496 -2.598092 -2.996306
H 0.301994 0.645878 -1.105987
H 0.619656 -1.270891 2.079265
H 1.748957 1.105041 -2.029646
H 4.917558 -1.395496 1.822606
H 2.794478 -1.959308 2.998920
H 6.085968 -0.351893 -0.055066
H 3.878450 1.644422 -3.164421
H 6.038344 0.926175 -2.193697


%chk=000218529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218529

0 1
O -1.299348 -0.787179 1.556482
N -2.119513 0.340929 -0.319741
N 0.191392 0.069450 -0.077373
C -3.545017 0.198997 0.047007
C -4.209016 1.589847 0.224733
C -4.300685 -0.673880 -0.990082
C -3.607022 2.427838 1.374121
C -3.774862 -2.122593 -1.091588
C -4.264490 3.818382 1.503617
C -4.534904 -2.957971 -2.143763
C -1.088332 -0.172039 0.467702
C 1.453794 -0.311580 0.446156
C 2.637726 0.035663 -0.323774
C 3.937458 -0.344936 0.197548
C 1.584186 -1.001063 1.664273
C 2.596650 0.735674 -1.577251
C 4.031806 -1.046771 1.443028
C 2.873109 -1.362952 2.151888
C 5.116506 -0.010834 -0.548684
C 3.762806 1.047301 -2.282119
C 5.039758 0.670721 -1.763640
H -3.535691 -0.325413 1.021307
H -4.138966 2.157375 -0.729138
H -5.291197 1.435345 0.411256
H -4.251531 -0.186282 -1.988476
H -5.373378 -0.692164 -0.708876
H -2.517313 2.542246 1.212376
H -3.718582 1.869912 2.324966
H -3.854542 -2.606900 -0.098186
H -2.695110 -2.105324 -1.337579
H -1.914247 0.825074 -1.196522
H -5.350921 3.730418 1.694792
H -4.135142 4.408677 0.576309
H -3.821699 4.396286 2.335278
H -4.146133 -3.991482 -2.193394
H -5.614068 -3.014716 -1.905364
H -4.438658 -2.512740 -3.152616
H 0.218660 0.580477 -0.959417
H 0.683326 -1.253371 2.225447
H 1.644068 1.048017 -2.024666
H 5.020474 -1.327414 1.823148
H 2.939590 -1.899891 3.104494
H 6.090325 -0.306157 -0.139971
H 3.698480 1.581947 -3.236094
H 5.949450 0.918078 -2.321213


