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	hartrees
Energy at 0K	-257.572809
Energy at 298.15K	-257.578471
HF Energy	-256.775609
Nuclear repulsion energy	166.679163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3743	3519	121.53
2	A'	3358	3157	1.57
3	A'	1568	1474	14.28
4	A'	1529	1438	16.96
5	A'	1361	1280	16.72
6	A'	1312	1234	0.01
7	A'	1171	1102	10.17
8	A'	1125	1058	26.61
9	A'	1105	1039	22.37
10	A'	1034	972	2.14
11	A'	999	939	1.76
12	A"	879	826	18.98
13	A"	750	705	10.24
14	A"	702	660	8.28
15	A"	579	544	80.20

Atom	x (Å)	y (Å)
C1	1.069	0.230
N2	0.000	1.055
N3	-1.116	0.308
N4	-0.727	-0.922
N5	0.634	-1.012
H6	2.104	0.558
H7	-0.056	2.064

	C1	N2	N3	N4	N5	H6	H7
C1		1.3501	2.1861	2.1336	1.3164	1.0855	2.1510
N2	1.3501		1.3425	2.1066	2.1623	2.1614	1.0104
N3	2.1861	1.3425		1.2908	2.1922	3.2291	2.0507
N4	2.1336	2.1066	1.2908		1.3635	3.1941	3.0606
N5	1.3164	2.1623	2.1922	1.3635		2.1509	3.1524
H6	1.0855	2.1614	3.2291	3.1941	2.1509		2.6324
H7	2.1510	1.0104	2.0507	3.0606	3.1524	2.6324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.559	C1	N2	H7	130.814
C1	N5	N4	105.511	N2	C1	N5	108.363
N2	C1	H6	124.758	N2	N3	N4	106.240
N3	N2	H7	120.627	N3	N4	N5	111.328
N5	C1	H6	126.878

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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