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	hartrees
Energy at 0K	-296.907038
Energy at 298.15K	-296.914623
HF Energy	-295.817783
Nuclear repulsion energy	231.372054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3343	3158	0.17
2	A	3259	3078	0.18
3	A	3236	3057	1.31
4	A	3134	2960	9.26
5	A	1533	1448	6.75
6	A	1504	1421	10.22
7	A	1470	1389	4.88
8	A	1460	1379	2.56
9	A	1453	1373	6.64
10	A	1352	1277	12.46
11	A	1307	1234	13.46
12	A	1252	1182	0.06
13	A	1176	1111	17.45
14	A	1163	1098	0.05
15	A	1073	1014	8.47
16	A	1048	990	15.79
17	A	1006	950	2.62
18	A	899	849	9.87
19	A	720	680	14.94
20	A	719	679	3.32
21	A	696	657	8.32
22	A	365	345	5.13
23	A	235	222	4.44
24	A	82	77	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	2.299	-1.209	-0.000
C2	1.411	-0.600	-0.000
N3	0.173	-1.122	0.000
N4	1.422	0.745	0.001
N5	0.146	1.119	-0.000
N6	-0.556	-0.019	-0.000
H7	-2.359	-0.546	-0.889
H8	-2.329	1.007	-0.003
H9	-2.359	-0.541	0.893
C10	-2.003	-0.030	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0765	2.1271	2.1414	3.1702	3.0921	4.7880	5.1303	4.7893	4.4599
C2	1.0765		1.3434	1.3447	2.1337	2.0503	3.8739	4.0700	3.8748	3.4608
N3	2.1271	1.3434		2.2460	2.2411	1.3219	2.7450	3.2850	2.7472	2.4345
N4	2.1414	1.3447	2.2460		1.3292	2.1198	4.0934	3.7596	4.0921	3.5111
N5	3.1702	2.1337	2.2411	1.3292		1.3370	3.1371	2.4775	3.1354	2.4369
N6	3.0921	2.0503	1.3219	2.1198	1.3370		2.0789	2.0486	2.0791	1.4472
H7	4.7880	3.8739	2.7450	4.0934	3.1371	2.0789		1.7886	1.7814	1.0883
H8	5.1303	4.0700	3.2850	3.7596	2.4775	2.0486	1.7886		1.7885	1.0869
H9	4.7893	3.8748	2.7472	4.0921	3.1354	2.0791	1.7814	1.7885		1.0883
C10	4.4599	3.4608	2.4345	3.5111	2.4369	1.4472	1.0883	1.0869	1.0883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	122.665	H1	C2	N4	123.992
C2	N3	N6	100.575	C2	N4	N5	105.877
N3	C2	N4	113.343	N3	N6	N5	114.884
N3	N6	C10	123.023	N4	N5	N6	105.321
N5	N6	C10	122.093	N6	C10	H7	109.334
N6	C10	H8	107.018	N6	C10	H9	109.349
H7	C10	H8	110.616	H7	C10	H9	109.856
H8	C10	H9	110.610

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)

using model chemistry: MP2/6-31G(2df,p)

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 (2H-Tetrazole, 2-methyl-)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)