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	hartrees
Energy at 0K	-255.823333
Energy at 298.15K	-255.828739
HF Energy	-255.259105
Nuclear repulsion energy	160.444579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3606	3495	106.71
2	A'	3296	3194	1.20
3	A'	1442	1398	43.72
4	A'	1367	1325	8.29
5	A'	1221	1184	10.59
6	A'	1131	1096	13.04
7	A'	1061	1029	2.89
8	A'	1001	970	6.60
9	A'	969	939	7.38
10	A'	848	822	16.60
11	A'	725	703	13.04
12	A"	912	884	16.20
13	A"	674	654	10.16
14	A"	659	639	26.27
15	A"	586	568	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)