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	hartrees
Energy at 0K	-257.826147
Energy at 298.15K	-257.831780
HF Energy	-256.843874
Nuclear repulsion energy	166.415044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3656	3484	115.05
2	A'	3320	3164	3.76
3	A'	1480	1410	9.92
4	A'	1467	1398	20.57
5	A'	1256	1197	1.22
6	A'	1180	1124	1.77
7	A'	1139	1085	10.74
8	A'	1107	1055	12.55
9	A'	1076	1025	31.73
10	A'	1004	957	2.67
11	A'	958	913	2.54
12	A"	837	798	21.21
13	A"	737	702	15.36
14	A"	698	666	13.05
15	A"	627	597	60.64

Atom	x (Å)	y (Å)
C1	1.068	0.237
N2	0.000	1.051
N3	-1.120	0.318
N4	-0.720	-0.936
N5	0.634	-1.012
H6	2.092	0.565
H7	-0.057	2.058

	C1	N2	N3	N4	N5	H6	H7
C1		1.3433	2.1904	2.1389	1.3224	1.0746	2.1402
N2	1.3433		1.3392	2.1136	2.1583	2.1479	1.0081
N3	2.1904	1.3392		1.3161	2.2013	3.2219	2.0395
N4	2.1389	2.1136	1.3161		1.3561	3.1873	3.0663
N5	1.3224	2.1583	2.2013	1.3561		2.1473	3.1463
H6	1.0746	2.1479	3.2219	3.1873	2.1473		2.6165
H7	2.1402	1.0081	2.0395	3.0663	3.1463	2.6165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.484	C1	N2	H7	130.521
C1	N5	N4	105.977	N2	C1	N5	108.120
N2	C1	H6	124.956	N2	N3	N4	105.499
N3	N2	H7	119.995	N3	N4	N5	110.920
N5	C1	H6	126.924

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVTZ

States and conformations

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