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	hartrees
Energy at 0K	-256.952296
Energy at 298.15K	-256.957922
HF Energy	-256.952296
Nuclear repulsion energy	167.610191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3516	95.90
2	A'	3208	3174	5.28
3	A'	1475	1459	13.42
4	A'	1431	1416	6.79
5	A'	1283	1270	10.61
6	A'	1234	1221	7.24
7	A'	1127	1116	9.50
8	A'	1078	1067	17.13
9	A'	1052	1041	31.48
10	A'	1002	991	2.37
11	A'	961	951	6.48
12	A"	824	816	18.95
13	A"	740	732	9.51
14	A"	694	686	19.58
15	A"	638	631	73.18

Atom	x (Å)	y (Å)
C1	1.063	0.229
N2	0.000	1.049
N3	-1.109	0.299
N4	-0.721	-0.916
N5	0.628	-1.003
H6	2.100	0.553
H7	-0.063	2.065

	C1	N2	N3	N4	N5	H6	H7
C1		1.3422	2.1727	2.1197	1.3067	1.0871	2.1536
N2	1.3422		1.3389	2.0934	2.1465	2.1582	1.0180
N3	2.1727	1.3389		1.2757	2.1714	3.2194	2.0527
N4	2.1197	2.0934	1.2757		1.3523	3.1809	3.0531
N5	1.3067	2.1465	2.1714	1.3523		2.1419	3.1455
H6	1.0871	2.1582	3.2194	3.1809	2.1419		2.6396
H7	2.1536	1.0180	2.0527	3.0531	3.1455	2.6396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.271	C1	N2	H7	131.208
C1	N5	N4	105.710	N2	C1	N5	108.254
N2	C1	H6	125.021	N2	N3	N4	106.364
N3	N2	H7	120.522	N3	N4	N5	111.401
N5	C1	H6	126.725

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.190
2	N	-0.298
3	N	-0.026
4	N	-0.091
5	N	-0.224
6	H	0.173
7	H	0.275

	x	y	z	Total
	2.506	4.807	0.000	5.421
CHELPG
AIM
ESP

	x	y	z
x	5.886	0.167	0.000
y	0.167	5.792	0.000
z	0.000	0.000	2.667

<r²>	69.843
(<r²>)^1/2	8.357

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

using model chemistry: SVWN/6-311G**

States and conformations

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