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	hartrees
Energy at 0K	-255.823333
Energy at 298.15K	-255.828730
HF Energy	-255.259105
Nuclear repulsion energy	160.444610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3606	3466	106.71
2	A'	3296	3168	1.20
3	A'	1442	1386	43.72
4	A'	1367	1313	8.29
5	A'	1221	1174	10.59
6	A'	1131	1087	13.04
7	A'	1061	1020	2.89
8	A'	1001	962	6.60
9	A'	969	931	7.38
10	A'	848	815	16.60
11	A'	725	697	13.04
12	A"	912	876	16.20
13	A"	674	648	10.16
14	A"	659	634	26.27
15	A"	586	563	136.15

Atom	x (Å)	y (Å)
C1	1.086	0.260
N2	0.000	1.097
N3	-1.182	0.287
N4	-0.759	-0.975
N5	0.718	-1.019
H6	2.108	0.606
H7	-0.068	2.107

	C1	N2	N3	N4	N5	H6	H7
C1		1.3716	2.2684	2.2205	1.3311	1.0784	2.1784
N2	1.3716		1.4324	2.2065	2.2349	2.1639	1.0125
N3	2.2684	1.4324		1.3312	2.3060	3.3048	2.1336
N4	2.2205	2.2065	1.3312		1.4780	3.2739	3.1587
N5	1.3311	2.2349	2.3060	1.4780		2.1386	3.2239
H6	1.0784	2.1639	3.3048	3.2739	2.1386		2.6428
H7	2.1784	1.0125	2.1336	3.1587	3.2239	2.6428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.974	C1	N2	H7	131.457
C1	N5	N4	104.334	N2	C1	N5	111.557
N2	C1	H6	123.630	N2	N3	N4	105.899
N3	N2	H7	120.569	N3	N4	N5	110.236
N5	C1	H6	124.813

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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