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	hartrees
Energy at 0K	-257.621172
Energy at 298.15K	-257.626830
HF Energy	-256.806716
Nuclear repulsion energy	167.181321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3735	3567	99.98
2	A'	3309	3160	0.73
3	A'	1567	1496	20.73
4	A'	1528	1459	15.70
5	A'	1354	1294	17.78
6	A'	1315	1256	0.26
7	A'	1180	1127	9.23
8	A'	1134	1083	28.68
9	A'	1103	1053	23.33
10	A'	1036	989	1.62
11	A'	1001	956	2.26
12	A"	870	831	23.20
13	A"	747	713	11.44
14	A"	704	672	12.29
15	A"	588	561	93.47

Atom	x (Å)	y (Å)
C1	1.066	0.230
N2	0.000	1.052
N3	-1.113	0.306
N4	-0.725	-0.921
N5	0.633	-1.007
H6	2.096	0.554
H7	-0.061	2.056

	C1	N2	N3	N4	N5	H6	H7
C1		1.3458	2.1805	2.1288	1.3108	1.0800	2.1453
N2	1.3458		1.3402	2.1016	2.1540	2.1548	1.0057
N3	2.1805	1.3402		1.2866	2.1849	3.2193	2.0418
N4	2.1288	2.1016	1.2866		1.3609	3.1833	3.0495
N5	1.3108	2.1540	2.1849	1.3609		2.1392	3.1404
H6	1.0800	2.1548	3.2193	3.1833	2.1392		2.6290
H7	2.1453	1.0057	2.0418	3.0495	3.1404	2.6290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.551	C1	N2	H7	131.110
C1	N5	N4	105.642	N2	C1	N5	108.347
N2	C1	H6	124.966	N2	N3	N4	106.255
N3	N2	H7	120.339	N3	N4	N5	111.205
N5	C1	H6	126.687

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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