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	hartrees
Energy at 0K	-296.929911
Energy at 298.15K	-296.937469
HF Energy	-295.850307
Nuclear repulsion energy	231.297465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3325	3149	0.04
2	A	3245	3073	0.31
3	A	3222	3052	4.16
4	A	3121	2956	12.71
5	A	1545	1464	9.11
6	A	1515	1435	13.55
7	A	1481	1403	1.88
8	A	1471	1393	7.87
9	A	1457	1380	7.67
10	A	1353	1281	11.96
11	A	1311	1242	14.63
12	A	1250	1184	0.53
13	A	1179	1116	17.98
14	A	1170	1108	0.00
15	A	1079	1022	8.70
16	A	1053	997	15.61
17	A	1012	959	2.25
18	A	871	825	15.73
19	A	723	685	15.47
20	A	715	677	5.91
21	A	688	651	5.67
22	A	373	353	5.18
23	A	234	222	5.29
24	A	69	66	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.302	-1.208	0.000
C2	1.412	-0.599	0.000
N3	0.175	-1.122	-0.000
N4	1.421	0.746	0.000
N5	0.148	1.118	-0.000
N6	-0.556	-0.019	-0.000
H7	-2.360	-0.547	-0.890
H8	-2.330	1.007	-0.004
H9	-2.360	-0.540	0.895
C10	-2.006	-0.030	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0789	2.1293	2.1439	3.1711	3.0956	4.7928	5.1351	4.7943	4.4666
C2	1.0789		1.3426	1.3455	2.1328	2.0511	3.8759	4.0722	3.8768	3.4648
N3	2.1293	1.3426		2.2453	2.2404	1.3227	2.7476	3.2876	2.7504	2.4388
N4	2.1439	1.3455	2.2453		1.3264	2.1193	4.0941	3.7601	4.0926	3.5138
N5	3.1711	2.1328	2.2404	1.3264		1.3373	3.1394	2.4804	3.1368	2.4411
N6	3.0956	2.0511	1.3227	2.1193	1.3373		2.0803	2.0500	2.0805	1.4506
H7	4.7928	3.8759	2.7476	4.0941	3.1394	2.0803		1.7895	1.7849	1.0886
H8	5.1351	4.0722	3.2876	3.7601	2.4804	2.0500	1.7895		1.7894	1.0871
H9	4.7943	3.8768	2.7504	4.0926	3.1368	2.0805	1.7849	1.7894		1.0886
C10	4.4666	3.4648	2.4388	3.5138	2.4411	1.4506	1.0886	1.0871	1.0886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	122.753	H1	C2	N4	123.961
C2	N3	N6	100.623	C2	N4	N5	105.914
N3	C2	N4	113.286	N3	N6	N5	114.750
N3	N6	C10	123.070	N4	N5	N6	105.427
N5	N6	C10	122.180	N6	C10	H7	109.195
N6	C10	H8	106.893	N6	C10	H9	109.212
H7	C10	H8	110.672	H7	C10	H9	110.131
H8	C10	H9	110.663

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

using model chemistry: MP2=FULL/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 (2H-Tetrazole, 2-methyl-)

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

States and conformations

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