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	hartrees
Energy at 0K	-295.858714
Energy at 298.15K	-295.866572
Nuclear repulsion energy	235.835332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3466	3135	3.10
2	A	3346	3026	5.50
3	A	3311	2995	18.31
4	A	3236	2927	30.76
5	A	1696	1534	13.11
6	A	1642	1485	11.43
7	A	1617	1462	10.03
8	A	1595	1442	12.60
9	A	1586	1434	29.90
10	A	1491	1349	10.86
11	A	1458	1319	25.13
12	A	1413	1278	31.18
13	A	1264	1143	0.30
14	A	1259	1138	11.35
15	A	1169	1057	32.36
16	A	1150	1040	28.13
17	A	1135	1026	8.79
18	A	1014	917	10.09
19	A	800	724	7.07
20	A	771	698	23.33
21	A	767	694	9.65
22	A	406	367	5.63
23	A	255	231	6.00
24	A	83	75	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	2.289	-1.174	0.000
C2	1.397	-0.588	0.000
N3	0.198	-1.090	-0.000
N4	1.379	0.749	-0.000
N5	0.144	1.077	0.000
N6	-0.541	-0.013	-0.000
H7	-2.338	-0.556	-0.881
H8	-2.331	0.982	-0.004
H9	-2.338	-0.549	0.885
C10	-1.987	-0.039	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0675	2.0934	2.1276	3.1093	3.0590	4.7505	5.0984	4.7522	4.4247
C2	1.0675		1.3001	1.3374	2.0837	2.0212	3.8372	4.0449	3.8382	3.4285
N3	2.0934	1.3001		2.1860	2.1678	1.3062	2.7367	3.2690	2.7395	2.4246
N4	2.1276	1.3374	2.1860		1.2775	2.0653	4.0363	3.7171	4.0350	3.4574
N5	3.1093	2.0837	2.1678	1.2775		1.2870	3.0987	2.4769	3.0962	2.4062
N6	3.0590	2.0212	1.3062	2.0653	1.2870		2.0736	2.0479	2.0738	1.4469
H7	4.7505	3.8372	2.7367	4.0363	3.0987	2.0736		1.7702	1.7665	1.0798
H8	5.0984	4.0449	3.2690	3.7171	2.4769	2.0479	1.7702		1.7702	1.0773
H9	4.7522	3.8382	2.7395	4.0350	3.0962	2.0738	1.7665	1.7702		1.0798
C10	4.4247	3.4285	2.4246	3.4574	2.4062	1.4469	1.0798	1.0773	1.0798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	124.010	H1	C2	N4	124.044
C2	N3	N6	101.705	C2	N4	N5	105.640
N3	C2	N4	111.945	N3	N6	N5	113.430
N3	N6	C10	123.367	N4	N5	N6	107.281
N5	N6	C10	123.203	N6	C10	H7	109.447
N6	C10	H8	107.542	N6	C10	H9	109.463
H7	C10	H8	110.296	H7	C10	H9	109.766
H8	C10	H9	110.290

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG	ESP
1	H	0.252	0.032	0.051
2	C	0.091	0.574	0.560
3	N	-0.260	-0.681	-0.690
4	N	-0.285	-0.433	-0.444
5	N	-0.019	-0.262	-0.262
6	N	-0.103	0.733	0.769
7	H	0.248	0.149	0.181
8	H	0.252	0.108	0.142
9	H	0.248	0.149	0.181
10	C	-0.423	-0.369	-0.487

	x	y	z	Total
	-2.528	-1.459	-0.000	2.919
CHELPG
AIM
ESP	-2.473	-1.456	-0.000	2.869

	x	y	z
x	7.987	-0.057	-0.001
y	-0.057	6.182	0.000
z	-0.001	0.000	3.878

<r²>	121.215
(<r²>)^1/2	11.010

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

using model chemistry: HF/6-311G*

States and conformations

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