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	hartrees
Energy at 0K	-296.847168
Energy at 298.15K	-296.854608
HF Energy	-295.862367
Nuclear repulsion energy	228.226804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3679	3496	97.38
2	A	3205	3046	1.04
3	A	3089	2935	11.33
4	A	1593	1514	37.59
5	A	1527	1451	0.07
6	A	1450	1378	25.77
7	A	1430	1359	2.41
8	A	1350	1283	7.79
9	A	1203	1143	7.88
10	A	1143	1086	1.37
11	A	1120	1064	18.81
12	A	1079	1025	16.66
13	A	1018	967	0.74
14	A	1006	956	0.85
15	A	689	655	3.57
16	A	333	316	4.58
17	A	3169	3011	7.42
18	A	1504	1429	10.21
19	A	1079	1026	0.48
20	A	734	697	21.19
21	A	708	672	27.41
22	A	618	587	41.27
23	A	261	248	0.09
24	A	78	74	0.53

Atom	x (Å)	y (Å)	z (Å)
N1	-1.150	-0.061	0.000
C2	0.000	0.601	0.000
C3	0.182	2.079	0.000
H4	0.727	2.410	0.888
H5	0.727	2.410	-0.888
H6	-0.804	2.543	0.000
N7	0.989	-0.321	0.000
N8	0.465	-1.557	0.000
N9	-0.839	-1.382	0.000
H10	1.993	-0.203	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3261	2.5200	3.2273	3.2273	2.6259	2.1547	2.2010	1.3572	3.1453
C2	1.3261		1.4893	2.1429	2.1429	2.1018	1.3520	2.2068	2.1525	2.1487
C3	2.5200	1.4893		1.0934	1.0934	1.0901	2.5316	3.6463	3.6079	2.9128
H4	3.2273	2.1429	1.0934		1.7762	1.7754	2.8836	4.0734	4.1975	3.0363
H5	3.2273	2.1429	1.0934	1.7762		1.7754	2.8836	4.0734	4.1975	3.0363
H6	2.6259	2.1018	1.0901	1.7754	1.7754		3.3787	4.2911	3.9244	3.9194
N7	2.1547	1.3520	2.5316	2.8836	2.8836	3.3787		1.3425	2.1137	1.0100
N8	2.2010	2.2068	3.6463	4.0734	4.0734	4.2911	1.3425		1.3153	2.0409
N9	1.3572	2.1525	3.6079	4.1975	4.1975	3.9244	2.1137	1.3153		3.0667
H10	3.1453	2.1487	2.9128	3.0363	3.0363	3.9194	1.0100	2.0409	3.0667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.943	N1	C2	N7	107.130
N1	N9	N8	110.878	C2	N1	N9	106.672
C2	C3	H4	111.213	C2	C3	H5	111.213
C2	C3	H6	108.146	C2	N7	N8	109.964
C2	N7	H10	130.361	C3	C2	N7	125.928
H4	C3	H5	108.625	H4	C3	H6	108.793
H5	C3	H6	108.793	N7	N8	N9	105.356
N8	N7	H10	119.675

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)