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	hartrees
Energy at 0K	-258.164845
Energy at 298.15K	-258.170478
HF Energy	-258.164845
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3524	98.60
2	A'	3336	3164	0.98
3	A'	1549	1469	20.76
4	A'	1500	1423	9.75
5	A'	1343	1274	18.48
6	A'	1299	1232	1.40
7	A'	1167	1107	11.27
8	A'	1108	1051	29.05
9	A'	1091	1035	22.44
10	A'	1027	974	1.07
11	A'	993	942	3.86
12	A"	862	817	16.78
13	A"	750	711	9.00
14	A"	700	664	9.56
15	A"	595	564	98.58

Atom	x (Å)	y (Å)
C1	1.066	0.231
N2	0.000	1.053
N3	-1.113	0.300
N4	-0.724	-0.919
N5	0.632	-1.005
H6	2.096	0.554
H7	-0.063	2.059

	C1	N2	N3	N4	N5	H6	H7
C1		1.3459	2.1799	2.1270	1.3096	1.0795	2.1488
N2	1.3459		1.3436	2.0998	2.1525	2.1542	1.0088
N3	2.1799	1.3436		1.2789	2.1790	3.2188	2.0492
N4	2.1270	2.0998	1.2789		1.3588	3.1810	3.0504
N5	1.3096	2.1525	2.1790	1.3588		2.1385	3.1422
H6	1.0795	2.1542	3.2188	3.1810	2.1385		2.6314
H7	2.1488	1.0088	2.0492	3.0504	3.1422	2.6314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.293	C1	N2	H7	131.193
C1	N5	N4	105.689	N2	C1	N5	108.294
N2	C1	H6	124.931	N2	N3	N4	106.362
N3	N2	H7	120.514	N3	N4	N5	111.362
N5	C1	H6	126.775

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

using model chemistry: wB97X-D/6-31G*

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	0.244
2	N	-0.442
3	N	-0.040
4	N	-0.082
5	N	-0.308
6	H	0.234
7	H	0.393

	x	y	z	Total
	2.552	4.851	0.000	5.481
CHELPG
AIM
ESP

	x	y	z
x	5.474	0.142	0.000
y	0.142	5.379	0.000
z	0.000	0.000	2.305

<r²>	69.787
(<r²>)^1/2	8.354

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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