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	hartrees
Energy at 0K	-257.674208
Energy at 298.15K
HF Energy	-256.788426
Nuclear repulsion energy	164.909715

Atom	x (Å)	y (Å)
C1	1.077	0.239
N2	0.000	1.065
N3	-1.133	0.307
N4	-0.732	-0.936
N5	0.649	-1.019
H6	2.112	0.571
H7	-0.060	2.077

	C1	N2	N3	N4	N5	H6	H7
C1		1.3571	2.2108	2.1567	1.3293	1.0875	2.1609
N2	1.3571		1.3632	2.1307	2.1830	2.1692	1.0135
N3	2.2108	1.3632		1.3064	2.2211	3.2560	2.0696
N4	2.1567	2.1307	1.3064		1.3827	3.2187	3.0868
N5	1.3293	2.1830	2.2211	1.3827		2.1616	3.1762
H6	1.0875	2.1692	3.2560	3.2187	2.1616		2.6430
H7	2.1609	1.0135	2.0696	3.0868	3.1762	2.6430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.726	C1	N2	H7	130.887
C1	N5	N4	105.339	N2	C1	N5	108.699
N2	C1	H6	124.721	N2	N3	N4	105.889
N3	N2	H7	120.386	N3	N4	N5	111.347
N5	C1	H6	126.580

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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(T)=FULL/aug-cc-pVDZ

States and conformations

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