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	hartrees
Energy at 0K	-255.739976
Energy at 298.15K	-255.745576
HF Energy	-255.265729
Nuclear repulsion energy	162.796419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3504	138.91
2	A'	3397	3198	2.06
3	A'	1515	1426	47.12
4	A'	1433	1349	9.65
5	A'	1280	1205	8.54
6	A'	1199	1129	11.04
7	A'	1141	1074	10.00
8	A'	1054	992	9.37
9	A'	1027	967	7.31
10	A'	929	874	17.67
11	A'	818	770	12.34
12	A"	969	912	12.97
13	A"	716	674	19.33
14	A"	703	662	58.06
15	A"	658	619	105.39

Atom	x (Å)	y (Å)
C1	1.086	0.250
N2	0.000	1.074
N3	-1.139	0.289
N4	-0.743	-0.953
N5	0.659	-1.004
H6	2.105	0.577
H7	-0.065	2.076

	C1	N2	N3	N4	N5	H6	H7
C1		1.3635	2.2256	2.1894	1.3249	1.0695	2.1582
N2	1.3635		1.3833	2.1590	2.1801	2.1628	1.0036
N3	2.2256	1.3833		1.3039	2.2147	3.2565	2.0845
N4	2.1894	2.1590	1.3039		1.4026	3.2324	3.1036
N5	1.3249	2.1801	2.2147	1.4026		2.1421	3.1635
H6	1.0695	2.1628	3.2565	3.2324	2.1421		2.6372
H7	2.1582	1.0036	2.0845	3.1036	3.1635	2.6372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.246	C1	N2	H7	130.889
C1	N5	N4	106.739	N2	C1	N5	108.362
N2	C1	H6	125.050	N2	N3	N4	106.885
N3	N2	H7	120.865	N3	N4	N5	109.768
N5	C1	H6	126.588

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

using model chemistry: CISD/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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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: CISD/3-21G

States and conformations

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