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	hartrees
Energy at 0K	-256.810797
Energy at 298.15K	-256.816621
HF Energy	-256.810797
Nuclear repulsion energy	170.057057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3950	3572	120.70
2	A'	3463	3132	0.19
3	A'	1724	1559	24.73
4	A'	1627	1472	12.21
5	A'	1547	1399	35.93
6	A'	1424	1288	1.89
7	A'	1256	1136	21.22
8	A'	1201	1086	32.41
9	A'	1174	1062	25.72
10	A'	1114	1008	1.86
11	A'	1091	987	1.99
12	A"	1005	909	10.81
13	A"	816	738	9.06
14	A"	754	682	8.77
15	A"	629	569	123.07

Atom	x (Å)	y (Å)
C1	1.052	0.223
N2	0.000	1.039
N3	-1.093	0.291
N4	-0.717	-0.899
N5	0.621	-0.989
H6	2.072	0.540
H7	-0.060	2.027

	C1	N2	N3	N4	N5	H6	H7
C1		1.3306	2.1460	2.0945	1.2863	1.0679	2.1187
N2	1.3306		1.3245	2.0659	2.1207	2.1308	0.9902
N3	2.1460	1.3245		1.2480	2.1398	3.1746	2.0203
N4	2.0945	2.0659	1.2480		1.3415	3.1377	2.9987
N5	1.2863	2.1207	2.1398	1.3415		2.1070	3.0920
H6	1.0679	2.1308	3.1746	3.1377	2.1070		2.5991
H7	2.1187	0.9902	2.0203	2.9987	3.0920	2.5991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.847	C1	N2	H7	131.256
C1	N5	N4	105.684	N2	C1	N5	108.253
N2	C1	H6	124.979	N2	N3	N4	106.813
N3	N2	H7	120.896	N3	N4	N5	111.403
N5	C1	H6	126.768

All results from a given calculation for CH₂N₄ (1H-Tetrazole)

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	0.191
2	N	-0.495
3	N	-0.009
4	N	-0.073
5	N	-0.299
6	H	0.277
7	H	0.407

	x	y	z	Total
	2.651	4.984	0.000	5.646
CHELPG
AIM
ESP

	x	y	z
x	5.192	0.101	0.000
y	0.101	5.244	0.000
z	0.000	0.000	2.500

<r²>	68.420
(<r²>)^1/2	8.272

All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂N₄ (1H-Tetrazole)