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	hartrees
Energy at 0K	-255.739976
Energy at 298.15K	-255.745568
HF Energy	-255.265729
Nuclear repulsion energy	162.796418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3722	3478	138.91
2	A'	3397	3174	2.06
3	A'	1515	1416	47.12
4	A'	1433	1339	9.65
5	A'	1280	1196	8.54
6	A'	1199	1120	11.04
7	A'	1141	1066	10.00
8	A'	1054	984	9.37
9	A'	1027	960	7.31
10	A'	929	868	17.67
11	A'	818	764	12.34
12	A"	969	905	12.97
13	A"	716	669	19.33
14	A"	703	657	58.06
15	A"	658	615	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)