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	hartrees
Energy at 0K	-256.797991
Energy at 298.15K	-256.803806
HF Energy	-256.797991
Nuclear repulsion energy	169.583746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3557	138.97
2	A'	3451	3143	0.74
3	A'	1702	1549	22.84
4	A'	1614	1470	11.41
5	A'	1536	1398	29.80
6	A'	1413	1287	1.51
7	A'	1248	1137	19.31
8	A'	1193	1087	32.31
9	A'	1173	1068	25.00
10	A'	1107	1008	1.71
11	A'	1084	987	1.63
12	A"	1001	911	12.95
13	A"	811	739	6.73
14	A"	744	678	4.35
15	A"	610	555	106.81

Atom	x (Å)	y (Å)
C1	1.054	0.225
N2	0.000	1.040
N3	-1.096	0.294
N4	-0.718	-0.902
N5	0.622	-0.993
H6	2.079	0.543
H7	-0.057	2.034

	C1	N2	N3	N4	N5	H6	H7
C1		1.3323	2.1506	2.1006	1.2928	1.0734	2.1225
N2	1.3323		1.3259	2.0712	2.1263	2.1380	0.9950
N3	2.1506	1.3259		1.2538	2.1457	3.1846	2.0263
N4	2.1006	2.0712	1.2538		1.3432	3.1489	3.0094
N5	1.2928	2.1263	2.1457	1.3432		2.1174	3.1019
H6	1.0734	2.1380	3.1846	3.1489	2.1174		2.6054
H7	2.1225	0.9950	2.0263	3.0094	3.1019	2.6054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.001	C1	N2	H7	131.024
C1	N5	N4	105.659	N2	C1	N5	108.181
N2	C1	H6	125.081	N2	N3	N4	106.778
N3	N2	H7	120.975	N3	N4	N5	111.381
N5	C1	H6	126.738

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	1.142
2	N	-0.177
3	N	-0.155
4	N	-0.250
5	N	-0.440
6	H	-0.113
7	H	-0.007

	x	y	z	Total
	2.636	4.889	0.000	5.555
CHELPG
AIM
ESP

	x	y	z
x	6.060	0.046	0.000
y	0.046	6.108	0.000
z	0.000	0.000	3.685

<r²>	68.866
(<r²>)^1/2	8.299

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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