%chk=000184537.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184537

0 1
S 2.802620 -2.477292 -0.996506
O -1.318891 -1.230359 0.660977
N 0.133077 0.280830 -0.356189
N 1.207274 -1.802299 -0.906014
N -2.204952 0.588070 -0.501271
C 2.632452 0.000232 -0.269212
C 3.601400 -0.995215 -0.519596
C 1.272661 -0.544814 -0.507799
C 3.027593 1.274040 0.154363
C 4.392058 1.538779 0.310540
C 4.964122 -0.740904 -0.367718
C 5.350477 0.530533 0.045311
C 4.858133 2.883781 0.762839
C -1.162868 -0.241836 -0.013243
C -3.593150 0.424709 -0.181716
C -4.494023 1.332967 -0.777415
C -4.058168 -0.573750 0.690117
C -5.854982 1.231233 -0.486887
C -5.424022 -0.654230 0.965172
C -6.325696 0.242801 0.383214
H 2.287140 2.039686 0.370668
H 5.704713 -1.514604 -0.564763
H 6.408907 0.758182 0.172351
H 0.270092 1.275338 -0.524541
H 5.539147 3.340282 0.029598
H 4.034848 3.592649 0.919952
H 5.405427 2.815690 1.715255
H -1.991784 1.304906 -1.196427
H -4.144373 2.104839 -1.456684
H -3.364028 -1.288517 1.144794
H -6.554960 1.929923 -0.944690
H -5.787555 -1.429074 1.641109
H -7.387587 0.170323 0.604311


%chk=000184537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184537

0 1
S 2.969140 -2.632161 -1.035347
O -1.266005 -1.452241 0.560933
N 0.142633 0.081725 -0.565206
N 1.276732 -1.962105 -1.035104
N -2.160315 0.425615 -0.563640
C 2.634270 -0.090989 -0.340460
C 3.676766 -1.041857 -0.533517
C 1.326054 -0.679558 -0.638631
C 2.951523 1.220053 0.102120
C 4.293151 1.587160 0.330827
C 5.026282 -0.697826 -0.306041
C 5.318142 0.613654 0.114852
C 4.660576 2.980729 0.808501
C -1.123550 -0.417035 -0.133952
C -3.531418 0.384956 -0.178675
C -4.390323 1.372700 -0.733315
C -4.059219 -0.582288 0.717757
C -5.758531 1.397139 -0.396388
C -5.430821 -0.539200 1.048785
C -6.289248 0.441245 0.500956
H 2.152799 1.948390 0.291539
H 5.829985 -1.426566 -0.450182
H 6.362790 0.896912 0.292288
H 0.236042 1.083916 -0.740488
H 5.337515 3.484934 0.093546
H 3.768257 3.617915 0.932387
H 5.184589 2.945442 1.781908
H -1.932971 1.102343 -1.295631
H -3.986775 2.122039 -1.427654
H -3.402250 -1.351515 1.127274
H -6.407964 2.163378 -0.834076
H -5.830730 -1.289287 1.740381
H -7.352024 0.459282 0.764152


