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	hartrees
Energy at 0K	-257.798679
Energy at 298.15K	-257.804334
HF Energy	-256.844939
Nuclear repulsion energy	167.433866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3502	110.97
2	A'	3322	3127	1.29
3	A'	1551	1460	17.82
4	A'	1502	1414	13.37
5	A'	1347	1268	16.20
6	A'	1300	1223	0.36
7	A'	1168	1100	15.84
8	A'	1093	1028	26.14
9	A'	1073	1010	19.51
10	A'	1025	965	0.70
11	A'	984	926	2.56
12	A"	906	852	16.63
13	A"	751	706	8.91
14	A"	700	659	5.62
15	A"	575	541	85.46

Atom	x (Å)	y (Å)
C1	1.062	0.232
N2	0.000	1.051
N3	-1.114	0.300
N4	-0.723	-0.919
N5	0.638	-1.004
H6	2.085	0.557
H7	-0.059	2.052

	C1	N2	N3	N4	N5	H6	H7
C1		1.3408	2.1763	2.1243	1.3074	1.0737	2.1369
N2	1.3408		1.3431	2.0992	2.1523	2.1426	1.0025
N3	2.1763	1.3431		1.2806	2.1838	3.2088	2.0449
N4	2.1243	2.0992	1.2806		1.3637	3.1729	3.0449
N5	1.3074	2.1523	2.1838	1.3637		2.1292	3.1347
H6	1.0737	2.1426	3.2088	3.1729	2.1292		2.6132
H7	2.1369	1.0025	2.0449	3.0449	3.1347	2.6132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.360	C1	N2	H7	130.998
C1	N5	N4	105.351	N2	C1	N5	108.722
N2	C1	H6	124.733	N2	N3	N4	106.255
N3	N2	H7	120.641	N3	N4	N5	111.312
N5	C1	H6	126.545

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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