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	hartrees
Energy at 0K	-256.639255
Energy at 298.15K	-256.645103
HF Energy	-256.639255
Nuclear repulsion energy	166.535478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3972	3575	176.82
2	A'	3540	3186	2.66
3	A'	1666	1500	47.05
4	A'	1545	1390	7.43
5	A'	1454	1308	24.74
6	A'	1380	1242	1.93
7	A'	1242	1118	20.60
8	A'	1159	1043	19.35
9	A'	1116	1005	17.40
10	A'	1103	992	24.39
11	A'	1045	941	2.89
12	A"	1011	910	7.13
13	A"	814	732	199.58
14	A"	789	710	5.58
15	A"	728	655	12.36

Atom	x (Å)	y (Å)
C1	1.074	0.242
N2	0.000	1.058
N3	-1.123	0.290
N4	-0.731	-0.930
N5	0.644	-0.997
H6	2.090	0.551
H7	-0.071	2.046

	C1	N2	N3	N4	N5	H6	H7
C1		1.3490	2.1977	2.1523	1.3122	1.0618	2.1370
N2	1.3490		1.3602	2.1180	2.1540	2.1507	0.9910
N3	2.1977	1.3602		1.2816	2.1863	3.2235	2.0470
N4	2.1523	2.1180	1.2816		1.3765	3.1861	3.0486
N5	1.3122	2.1540	2.1863	1.3765		2.1188	3.1267
H6	1.0618	2.1507	3.2235	3.1861	2.1188		2.6280
H7	2.1370	0.9910	2.0470	3.0486	3.1267	2.6280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.427	C1	N2	H7	131.316
C1	N5	N4	106.331	N2	C1	N5	108.067
N2	C1	H6	125.876	N2	N3	N4	106.552
N3	N2	H7	120.257	N3	N4	N5	110.623
N5	C1	H6	126.057

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

using model chemistry: HF/LANL2DZ

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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Number	Element	Mulliken
1	C	0.018
2	N	-0.498
3	N	0.009
4	N	-0.060
5	N	-0.183
6	H	0.284
7	H	0.430

	x	y	z	Total
	2.935	5.464	0.000	6.203
CHELPG
AIM
ESP

	x	y	z
x	5.330	0.102	0.000
y	0.102	5.389	0.000
z	0.000	0.000	2.155

<r²>	71.361
(<r²>)^1/2	8.448

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

using model chemistry: HF/LANL2DZ

States and conformations

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