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	hartrees
Energy at 0K	-257.060082
Energy at 298.15K	-257.065767
HF Energy	-256.587480
Nuclear repulsion energy	164.405743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3816	3579	138.21
2	A'	3416	3204	4.13
3	A'	1566	1469	46.00
4	A'	1483	1391	7.15
5	A'	1305	1224	4.89
6	A'	1290	1210	12.51
7	A'	1186	1112	17.75
8	A'	1078	1011	13.73
9	A'	1049	983	2.95
10	A'	1006	943	21.80
11	A'	897	841	8.69
12	A"	910	853	17.23
13	A"	745	699	146.40
14	A"	740	694	15.23
15	A"	686	643	30.07

Atom	x (Å)	y (Å)
C1	1.083	0.248
N2	0.000	1.068
N3	-1.141	0.295
N4	-0.740	-0.944
N5	0.661	-1.009
H6	2.106	0.570
H7	-0.064	2.067

	C1	N2	N3	N4	N5	H6	H7
C1		1.3582	2.2240	2.1781	1.3259	1.0729	2.1505
N2	1.3582		1.3779	2.1438	2.1798	2.1644	1.0013
N3	2.2240	1.3779		1.3022	2.2244	3.2586	2.0734
N4	2.1781	2.1438	1.3022		1.4030	3.2240	3.0861
N5	1.3259	2.1798	2.2244	1.4030		2.1403	3.1606
H6	1.0729	2.1644	3.2586	3.2240	2.1403		2.6370
H7	2.1505	1.0013	2.0734	3.0861	3.1606	2.6370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.748	C1	N2	H7	130.815
C1	N5	N4	105.876	N2	C1	N5	108.598
N2	C1	H6	125.420	N2	N3	N4	106.206
N3	N2	H7	120.438	N3	N4	N5	110.572
N5	C1	H6	125.982

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

using model chemistry: CISD/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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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: CISD/6-31G

States and conformations

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