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	hartrees
Energy at 0K	-294.742032
Energy at 298.15K	-294.749320
HF Energy	-294.081317
Nuclear repulsion energy	220.856134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3585	3410	100.55
2	A	3197	3041	0.88
3	A	3098	2947	7.46
4	A	1593	1515	6.32
5	A	1509	1435	9.60
6	A	1491	1418	46.53
7	A	1362	1295	29.91
8	A	1297	1234	14.57
9	A	1064	1012	0.77
10	A	1029	979	1.38
11	A	988	940	4.26
12	A	946	900	7.09
13	A	827	787	2.60
14	A	774	736	25.36
15	A	657	625	1.68
16	A	333	317	3.27
17	A	3161	3007	7.57
18	A	1592	1515	11.57
19	A	1139	1083	3.11
20	A	696	662	22.85
21	A	680	647	40.96
22	A	628	598	69.97
23	A	267	254	0.00
24	A	124	118	0.33

Atom	x (Å)	y (Å)	z (Å)
N1	-1.190	-0.012	0.000
C2	0.000	0.616	0.000
C3	0.194	2.104	0.000
H4	0.740	2.431	0.892
H5	0.740	2.431	-0.892
H6	-0.795	2.567	0.000
N7	1.025	-0.298	0.000
N8	0.499	-1.618	0.000
N9	-0.888	-1.442	0.000
H10	2.030	-0.157	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3456	2.5291	3.2388	3.2388	2.6090	2.2335	2.3302	1.4614	3.2234
C2	1.3456		1.5012	2.1537	2.1537	2.1066	1.3730	2.2885	2.2412	2.1720
C3	2.5291	1.5012		1.0950	1.0950	1.0919	2.5415	3.7345	3.7078	2.9122
H4	3.2388	2.1537	1.0950		1.7830	1.7798	2.8850	4.1531	4.2950	3.0260
H5	3.2388	2.1537	1.0950	1.7830		1.7798	2.8850	4.1531	4.2950	3.0260
H6	2.6090	2.1066	1.0919	1.7798	1.7798		3.3935	4.3798	4.0098	3.9237
N7	2.2335	1.3730	2.5415	2.8850	2.8850	3.3935		1.4212	2.2292	1.0149
N8	2.3302	2.2885	3.7345	4.1531	4.1531	4.3798	1.4212		1.3978	2.1167
N9	1.4614	2.2412	3.7078	4.2950	4.2950	4.0098	2.2292	1.3978		3.1887
H10	3.2234	2.1720	2.9122	3.0260	3.0260	3.9237	1.0149	2.1167	3.1887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	125.258	N1	C2	N7	110.481
N1	N9	N8	109.153	C2	N1	N9	105.886
C2	C3	H4	111.139	C2	C3	H5	111.139
C2	C3	H6	107.613	C2	N7	N8	109.963
C2	N7	H10	130.305	C3	C2	N7	124.261
H4	C3	H5	109.005	H4	C3	H6	108.944
H5	C3	H6	108.944	N7	N8	N9	104.516
N8	N7	H10	119.731

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2/3-21G*

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 C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 5-methyl-)