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	hartrees
Energy at 0K	-53.091067
Energy at 298.15K	-53.098584
Nuclear repulsion energy	119.379457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3353	3210	0.06
2	A	3226	3089	5.45
3	A	3203	3067	20.13
4	A	3103	2971	22.43
5	A	1511	1447	13.41
6	A	1491	1428	21.00
7	A	1467	1404	11.78
8	A	1429	1368	4.45
9	A	1411	1351	16.33
10	A	1285	1230	15.67
11	A	1269	1215	9.56
12	A	1201	1150	9.28
13	A	1157	1108	0.35
14	A	1133	1085	12.49
15	A	1011	968	6.71
16	A	997	955	21.35
17	A	989	947	6.12
18	A	888	850	23.18
19	A	707	677	10.51
20	A	701	671	8.66
21	A	677	648	1.86
22	A	354	339	4.97
23	A	245	234	8.90
24	A	90	86	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.340	-1.221	0.000
C2	1.442	-0.619	0.000
N3	0.190	-1.145	-0.000
N4	1.444	0.765	0.000
N5	0.151	1.149	-0.000
N6	-0.577	-0.017	-0.000
H7	-2.406	-0.557	-0.896
H8	-2.384	1.005	-0.002
H9	-2.406	-0.553	0.898
C10	-2.042	-0.036	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0813	2.1513	2.1780	3.2254	3.1557	4.8754	5.2226	4.8764	4.5390
C2	1.0813		1.3576	1.3835	2.1883	2.1065	3.9512	4.1565	3.9518	3.5317
N3	2.1513	1.3576		2.2846	2.2940	1.3640	2.8086	3.3545	2.8104	2.4921
N4	2.1780	1.3835	2.2846		1.3486	2.1674	4.1683	3.8362	4.1675	3.5767
N5	3.2254	2.1883	2.2940	1.3486		1.3749	3.2021	2.5399	3.2006	2.4927
N6	3.1557	2.1065	1.3640	2.1674	1.3749		2.1068	2.0765	2.1069	1.4646
H7	4.8754	3.9512	2.8086	4.1683	3.2021	2.1068		1.8000	1.7940	1.0985
H8	5.2226	4.1565	3.3545	3.8362	2.5399	2.0765	1.8000		1.8000	1.0965
H9	4.8764	3.9518	2.8104	4.1675	3.2006	2.1069	1.7940	1.8000		1.0985
C10	4.5390	3.5317	2.4921	3.5767	2.4927	1.4646	1.0985	1.0965	1.0985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.383	H1	C2	N4	123.708
C2	N3	N6	101.429	C2	N4	N5	106.439
N3	C2	N4	112.909	N3	N6	N5	113.766
N3	N6	C10	123.495	N4	N5	N6	105.457
N5	N6	C10	122.740	N6	C10	H7	109.742
N6	C10	H8	107.476	N6	C10	H9	109.752
H7	C10	H8	110.182	H7	C10	H9	109.487
H8	C10	H9	110.177

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

using model chemistry: B1B95/CEP-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	0.287
2	C	-0.509
3	N	0.165
4	N	0.021
5	N	-0.001
6	N	-0.135
7	H	0.212
8	H	0.230
9	H	0.212
10	C	-0.481

	x	y	z	Total
	-2.686	-1.770	0.000	3.217
CHELPG
AIM
ESP

	x	y	z
x	8.452	-0.096	-0.000
y	-0.096	6.692	0.000
z	-0.000	0.000	3.712

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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