DFT_BPT12C15N_SERS_txt
-1.757632
3.3987
3.8708
3.5757
4.587
4.1623
2.2952
15.238
27.8648
1.7078
1.2625
4.1658
22.5139
3.0989
35.3772
15.6334
11.2187
29.9998
84.3613
90.0917
2.2251
4.757
12.2761
27.8911
2.342
10.0407
2.3827
2.5081
62.5448
8.5336
55.0855
2.0738
36.3385
43.6899
0.99
0.7826
1.8243
1.848
20.5517
4.908
218.7737
50.0948
1624.5153
0.2967
0.4313
454.6201
417.4033
1.9896
3.1292
1439.9645
2.7629
1.1824
3.2692
2.7219
1.166
110.119
62.0206
1.7042
3.1116
6062.2983
1684.7218
1675.7793
25.1564
79.0594
8.3348
34.1576
16.3047
100.2722
42.084
259.7196
