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	hartrees
Energy at 0K	-295.816877
Energy at 298.15K	-295.823910
Nuclear repulsion energy	221.758830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3206	0.80
2	A	3095	3078	0.78
3	A	3056	3039	13.44
4	A	2995	2978	20.18
5	A	1524	1516	17.23
6	A	1518	1509	13.29
7	A	1449	1441	5.55
8	A	1338	1331	16.04
9	A	1307	1300	11.10
10	A	1169	1163	1.52
11	A	1140	1134	23.04
12	A	1120	1114	0.05
13	A	1025	1019	8.41
14	A	998	992	1.15
15	A	966	961	0.40
16	A	852	847	16.93
17	A	788	784	37.60
18	A	694	690	11.64
19	A	644	641	4.14
20	A	600	597	1.33
21	A	598	595	6.09
22	A	312	310	1.58
23	A	195	194	0.60
24	A	80	80	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	1.099	0.000
N2	-0.602	0.042	0.000
N3	0.184	-1.176	0.000
N4	1.472	-0.775	0.000
N5	1.553	0.697	0.000
H6	-0.051	2.133	0.000
C7	-2.084	-0.016	-0.000
H8	-2.486	0.469	-0.902
H9	-2.350	-1.081	-0.001
H10	-2.486	0.468	0.902

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3715	2.2771	2.2261	1.3437	1.0825	2.6059	2.9681	3.4091	2.9685
N2	1.3715		1.4495	2.2293	2.2531	2.1624	1.4828	2.1316	2.0771	2.1316
N3	2.2771	1.4495		1.3491	2.3208	3.3172	2.5472	3.2630	2.5355	3.2627
N4	2.2261	2.2293	1.3491		1.4749	3.2826	3.6360	4.2456	3.8341	4.2455
N5	1.3437	2.2531	2.3208	1.4749		2.1527	3.7066	4.1447	4.2892	4.1449
H6	1.0825	2.1624	3.3172	3.2826	2.1527		2.9581	3.0833	3.9510	3.0840
C7	2.6059	1.4828	2.5472	3.6360	3.7066	2.9581		1.1003	1.0972	1.1003
H8	2.9681	2.1316	3.2630	4.2456	4.1447	3.0833	1.1003		1.7983	1.8043
H9	3.4091	2.0771	2.5355	3.8341	4.2892	3.9510	1.0972	1.7983		1.7982
H10	2.9685	2.1316	3.2627	4.2455	4.1449	3.0840	1.1003	1.8043	1.7982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.609	C1	N2	C7	131.793
C1	N5	N4	104.237	N2	C1	N5	112.153
N2	C1	H6	123.131	N2	N3	N4	105.550
N2	C7	H8	110.340	N2	C7	H9	106.268
N2	C7	H10	110.339	N3	N2	C7	120.598
N3	N4	N5	110.452	N5	C1	H6	124.717
H8	C7	H9	109.837	H8	C7	H10	110.153
H9	C7	H10	109.833

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

using model chemistry: BLYP/3-21G

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	0.306
2	N	-0.424
3	N	-0.046
4	N	-0.082
5	N	-0.313
6	H	0.237
7	C	-0.368
8	H	0.223
9	H	0.245
10	H	0.223

	x	y	z	Total
	-5.317	2.252	0.000	5.774
CHELPG
AIM
ESP

<r²>	133.411
(<r²>)^1/2	11.550

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

using model chemistry: BLYP/3-21G

States and conformations

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