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	hartrees
Energy at 0K	-295.879700
Energy at 298.15K	-295.887417
HF Energy	-295.879700
Nuclear repulsion energy	234.534708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3439	3125	0.41
2	A'	3298	2996	10.57
3	A'	3211	2918	28.13
4	A'	1686	1532	58.63
5	A'	1656	1505	10.67
6	A'	1611	1464	7.13
7	A'	1587	1442	20.42
8	A'	1526	1386	11.52
9	A'	1410	1281	9.01
10	A'	1334	1212	33.63
11	A'	1246	1132	51.45
12	A'	1158	1052	3.10
13	A'	1131	1028	17.03
14	A'	1095	995	3.76
15	A'	742	674	14.46
16	A'	382	347	1.51
17	A"	3291	2990	11.35
18	A"	1601	1454	8.94
19	A"	1256	1142	0.43
20	A"	991	901	12.00
21	A"	808	734	1.49
22	A"	711	646	9.40
23	A"	236	215	0.01
24	A"	53	48	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.068	-0.231	0.000
N2	0.000	0.557	0.000
N3	1.065	-0.228	0.000
N4	0.658	-1.410	0.000
N5	-0.678	-1.459	0.000
H6	-2.078	0.113	0.000
C7	0.121	1.998	0.000
H8	-0.871	2.425	0.000
H9	0.653	2.321	0.883
H10	0.653	2.321	-0.883

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3268	2.1329	2.0900	1.2887	1.0678	2.5265	2.6633	3.2016	3.2016
N2	1.3268		1.3236	2.0745	2.1270	2.1253	1.4464	2.0609	2.0776	2.0776
N3	2.1329	1.3236		1.2504	2.1338	3.1623	2.4185	3.2846	2.7289	2.7289
N4	2.0900	2.0745	1.2504		1.3363	3.1317	3.4507	4.1288	3.8341	3.8341
N5	1.2887	2.1270	2.1338	1.3363		2.1057	3.5486	3.8891	4.1033	4.1033
H6	1.0678	2.1253	3.1623	3.1317	2.1057		2.8972	2.6086	3.6213	3.6213
C7	2.5265	1.4464	2.4185	3.4507	3.5486	2.8972		1.0798	1.0799	1.0799
H8	2.6633	2.0609	3.2846	4.1288	3.8891	2.6086	1.0798		1.7640	1.7640
H9	3.2016	2.0776	2.7289	3.8341	4.1033	3.6213	1.0799	1.7640		1.7662
H10	3.2016	2.0776	2.7289	3.8341	4.1033	3.6213	1.0799	1.7640	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.174	C1	N2	C7	131.246
C1	N5	N4	105.522	N2	C1	N5	108.818
N2	C1	H6	124.783	N2	N3	N4	107.372
N2	C7	H8	108.465	N2	C7	H9	109.797
N2	C7	H10	109.797	N3	N2	C7	121.580
N3	N4	N5	111.114	N5	C1	H6	126.399
H8	C7	H9	109.522	H8	C7	H10	109.522
H9	C7	H10	109.718

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-methyl-)

using model chemistry: HF/TZVP

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	C	-0.100
2	N	0.013
3	N	-0.086
4	N	-0.069
5	N	-0.098
6	H	0.132
7	C	-0.158
8	H	0.105
9	H	0.131
10	H	0.131

	x	y	z	Total
	-2.380	5.816	0.000	6.284
CHELPG
AIM
ESP

	x	y	z
x	6.877	0.125	0.000
y	0.125	7.922	0.000
z	0.000	0.000	4.515

<r²>	123.186
(<r²>)^1/2	11.099

All results from a given calculation for C2H4N4 (1H-Tetrazole, 1-methyl-)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-methyl-)