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	hartrees
Energy at 0K	-297.468969
Energy at 298.15K	-297.476575
Nuclear repulsion energy	232.290771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3308	3171	0.37
2	A	3207	3074	0.53
3	A	3173	3041	5.31
4	A	3089	2960	18.06
5	A	1528	1465	4.80
6	A	1498	1436	14.18
7	A	1485	1424	11.52
8	A	1451	1391	2.08
9	A	1440	1380	9.42
10	A	1338	1282	18.21
11	A	1329	1274	9.12
12	A	1276	1223	11.54
13	A	1176	1127	10.54
14	A	1148	1100	0.14
15	A	1063	1019	28.87
16	A	1048	1005	12.62
17	A	1031	988	3.71
18	A	892	855	10.77
19	A	729	698	13.15
20	A	727	697	4.90
21	A	697	668	6.39
22	A	375	359	5.34
23	A	236	226	5.42
24	A	89	86	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.305	-1.199	-0.000
C2	1.408	-0.598	0.000
N3	0.186	-1.116	0.000
N4	1.406	0.752	-0.000
N5	0.147	1.108	0.000
N6	-0.553	-0.017	-0.000
H7	-2.362	-0.551	-0.890
H8	-2.335	1.002	-0.003
H9	-2.362	-0.546	0.894
C10	-1.999	-0.034	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0794	2.1211	2.1476	3.1585	3.0926	4.7948	5.1353	4.7963	4.4594
C2	1.0794		1.3279	1.3498	2.1213	2.0453	3.8739	4.0706	3.8747	3.4540
N3	2.1211	1.3279		2.2314	2.2243	1.3240	2.7569	3.2923	2.7591	2.4384
N4	2.1476	1.3498	2.2314		1.3083	2.1047	4.0850	3.7492	4.0840	3.4951
N5	3.1585	2.1213	2.2243	1.3083		1.3253	3.1370	2.4841	3.1348	2.4314
N6	3.0926	2.0453	1.3240	2.1047	1.3253		2.0853	2.0528	2.0855	1.4466
H7	4.7948	3.8739	2.7569	4.0850	3.1370	2.0853		1.7892	1.7837	1.0916
H8	5.1353	4.0706	3.2923	3.7492	2.4841	2.0528	1.7892		1.7892	1.0890
H9	4.7963	3.8747	2.7591	4.0840	3.1348	2.0855	1.7837	1.7892		1.0916
C10	4.4594	3.4540	2.4384	3.4951	2.4314	1.4466	1.0916	1.0890	1.0916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.220	H1	C2	N4	123.897
C2	N3	N6	100.938	C2	N4	N5	105.878
N3	C2	N4	112.882	N3	N6	N5	114.199
N3	N6	C10	123.254	N4	N5	N6	106.102
N5	N6	C10	122.547	N6	C10	H7	109.702
N6	C10	H8	107.273	N6	C10	H9	109.714
H7	C10	H8	110.274	H7	C10	H9	109.580
H8	C10	H9	110.266

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

using model chemistry: B3PW91/6-31G**

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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Number	Element	Mulliken
1	H	0.166
2	C	0.245
3	N	-0.289
4	N	-0.306
5	N	-0.052
6	N	-0.075
7	H	0.180
8	H	0.185
9	H	0.180
10	C	-0.233

	x	y	z	Total
	-2.490	-1.462	-0.000	2.887
CHELPG
AIM
ESP

<r²>	123.294
(<r²>)^1/2	11.104

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

using model chemistry: B3PW91/6-31G**

States and conformations

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