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	hartrees
Energy at 0K	-52.368830
Energy at 298.15K	-52.376046
HF Energy	-51.766866
Nuclear repulsion energy	115.014289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3678	3554	98.85
2	A	3180	3073	9.88
3	A	3051	2948	25.53
4	A	1527	1475	12.08
5	A	1518	1467	36.24
6	A	1465	1416	0.80
7	A	1360	1314	34.49
8	A	1327	1282	17.27
9	A	1070	1034	1.22
10	A	1034	999	1.32
11	A	998	964	5.47
12	A	979	946	9.20
13	A	898	868	19.84
14	A	883	853	5.64
15	A	651	629	3.40
16	A	318	307	3.58
17	A	3147	3041	27.90
18	A	1510	1459	16.75
19	A	1097	1060	0.49
20	A	719	694	130.85
21	A	667	644	0.28
22	A	620	599	10.10
23	A	241	233	0.10
24	A	85	82	0.50

Atom	x (Å)	y (Å)	z (Å)
N1	-1.203	-0.047	0.000
C2	0.000	0.633	0.000
C3	0.176	2.152	0.000
H4	0.725	2.491	0.903
H5	0.725	2.491	-0.903
H6	-0.830	2.613	0.000
N7	1.037	-0.310	0.000
N8	0.515	-1.630	0.000
N9	-0.881	-1.460	0.000
H10	2.048	-0.174	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3818	2.5956	3.3126	3.3126	2.6865	2.2547	2.3356	1.4485	3.2532
C2	1.3818		1.5291	2.1891	2.1891	2.1470	1.4012	2.3210	2.2705	2.2012
C3	2.5956	1.5291		1.1096	1.1096	1.1061	2.6079	3.7974	3.7631	2.9857
H4	3.3126	2.1891	1.1096		1.8052	1.8019	2.9588	4.2240	4.3590	3.1089
H5	3.3126	2.1891	1.1096	1.8052		1.8019	2.9588	4.2240	4.3590	3.1089
H6	2.6865	2.1470	1.1061	1.8019	1.8019		3.4679	4.4513	4.0732	4.0060
N7	2.2547	1.4012	2.6079	2.9588	2.9588	3.4679		1.4199	2.2360	1.0205
N8	2.3356	2.3210	3.7974	4.2240	4.2240	4.4513	1.4199		1.4061	2.1147
N9	1.4485	2.2705	3.7631	4.3590	4.3590	4.0732	2.2360	1.4061		3.1988
H10	3.2532	2.2012	2.9857	3.1089	3.1089	4.0060	1.0205	2.1147	3.1988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.095	N1	C2	N7	108.222
N1	N9	N8	109.802	C2	N1	N9	106.661
C2	C3	H4	111.116	C2	C3	H5	111.116
C2	C3	H6	108.043	C2	N7	N8	110.717
C2	N7	H10	130.066	C3	C2	N7	125.682
H4	C3	H5	108.865	H4	C3	H6	108.822
H5	C3	H6	108.822	N7	N8	N9	104.598
N8	N7	H10	119.217

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

using model chemistry: MP2/CEP-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 C2H4N4 (1H-Tetrazole, 5-methyl-)

using model chemistry: MP2/CEP-31G

States and conformations

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