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	hartrees
Energy at 0K	-295.859277
Energy at 298.15K	-295.867022
Nuclear repulsion energy	234.435557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3437	3122	0.14
2	A'	3297	2995	11.86
3	A'	3209	2915	28.15
4	A'	1694	1539	56.90
5	A'	1660	1508	11.76
6	A'	1614	1466	10.62
7	A'	1585	1440	16.66
8	A'	1538	1397	10.84
9	A'	1424	1293	10.52
10	A'	1337	1215	29.27
11	A'	1250	1136	49.30
12	A'	1159	1053	0.85
13	A'	1146	1041	19.96
14	A'	1103	1002	3.90
15	A'	745	677	15.02
16	A'	381	346	1.67
17	A"	3289	2988	13.62
18	A"	1599	1453	9.40
19	A"	1253	1138	0.35
20	A"	1012	920	9.89
21	A"	814	740	1.32
22	A"	726	660	12.24
23	A"	239	217	0.00
24	A"	57	52	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-1.069	-0.232	0.000
N2	0.000	0.557	0.000
N3	1.065	-0.227	0.000
N4	0.658	-1.410	0.000
N5	-0.677	-1.461	0.000
H6	-2.080	0.112	0.000
C7	0.122	2.000	0.000
H8	-0.871	2.428	0.000
H9	0.654	2.321	0.884
H10	0.654	2.321	-0.884

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3285	2.1337	2.0898	1.2899	1.0686	2.5294	2.6677	3.2048	3.2048
N2	1.3285		1.3224	2.0743	2.1287	2.1271	1.4476	2.0636	2.0788	2.0788
N3	2.1337	1.3224		1.2517	2.1349	3.1634	2.4178	3.2856	2.7279	2.7279
N4	2.0898	2.0743	1.2517		1.3353	3.1326	3.4515	4.1313	3.8346	3.8346
N5	1.2899	2.1287	2.1349	1.3353		2.1086	3.5517	3.8941	4.1060	4.1060
H6	1.0686	2.1271	3.1634	3.1326	2.1086		2.8999	2.6124	3.6246	3.6246
C7	2.5294	1.4476	2.4178	3.4515	3.5517	2.8999		1.0810	1.0810	1.0810
H8	2.6677	2.0636	3.2856	4.1313	3.8941	2.6124	1.0810		1.7661	1.7661
H9	3.2048	2.0788	2.7279	3.8346	4.1060	3.6246	1.0810	1.7661		1.7679
H10	3.2048	2.0788	2.7279	3.8346	4.1060	3.6246	1.0810	1.7661	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.199	C1	N2	C7	131.278
C1	N5	N4	105.496	N2	C1	N5	108.766
N2	C1	H6	124.726	N2	N3	N4	107.348
N2	C7	H8	108.531	N2	C7	H9	109.746
N2	C7	H10	109.746	N3	N2	C7	121.523
N3	N4	N5	111.191	N5	C1	H6	126.508
H8	C7	H9	109.544	H8	C7	H10	109.544
H9	C7	H10	109.710

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-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
1	C	0.310
2	N	-0.362
3	N	-0.044
4	N	-0.075
5	N	-0.306
6	H	0.138
7	C	-0.033
8	H	0.104
9	H	0.134
10	H	0.134

	x	y	z	Total
	-2.356	5.717	0.000	6.183
CHELPG
AIM
ESP

	x	y	z
x	6.497	0.087	0.000
y	0.087	7.555	0.000
z	0.000	0.000	3.916

<r²>	123.112
(<r²>)^1/2	11.096

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

using model chemistry: HF/6-311G**

States and conformations

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