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	hartrees
Energy at 0K	-295.983918
Energy at 298.15K	-295.991303
Nuclear repulsion energy	231.505737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3165	2.40
2	A	3124	3066	0.39
3	A	3093	3035	2.80
4	A	3012	2956	15.17
5	A	1523	1495	27.14
6	A	1476	1449	10.39
7	A	1445	1418	15.56
8	A	1432	1406	3.21
9	A	1398	1372	2.02
10	A	1327	1303	7.41
11	A	1252	1228	4.34
12	A	1182	1160	10.91
13	A	1111	1090	0.44
14	A	1107	1086	24.32
15	A	1083	1063	6.00
16	A	1018	999	9.52
17	A	979	961	13.83
18	A	800	785	13.06
19	A	729	715	1.29
20	A	709	696	6.02
21	A	663	650	6.97
22	A	351	344	2.86
23	A	231	227	0.01
24	A	46	45	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.280	1.071	0.000
N2	0.570	0.033	-0.001
N3	-0.155	-1.097	-0.000
N4	-1.396	-0.735	0.000
N5	-1.513	0.607	0.000
H6	0.021	2.118	-0.001
C7	2.002	-0.013	0.000
H8	2.409	0.472	0.903
H9	2.287	-1.075	-0.003
H10	2.411	0.478	-0.898

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3416	2.1716	2.1227	1.3166	1.0899	2.5265	2.8993	3.3460	2.8985
N2	1.3416		1.3434	2.1111	2.1606	2.1558	1.4325	2.0950	2.0435	2.0955
N3	2.1716	1.3434		1.2926	2.1790	3.2201	2.4145	3.1388	2.4425	3.1422
N4	2.1227	2.1111	1.2926		1.3474	3.1858	3.4740	4.0925	3.6989	4.0954
N5	1.3166	2.1606	2.1790	1.3474		2.1530	3.5690	4.0264	4.1556	4.0274
H6	1.0899	2.1558	3.2201	3.1858	2.1530		2.9092	3.0378	3.9152	3.0338
C7	2.5265	1.4325	2.4145	3.4740	3.5690	2.9092		1.1020	1.0998	1.1021
H8	2.8993	2.0950	3.1388	4.0925	4.0264	3.0378	1.1020		1.7966	1.8004
H9	3.3460	2.0435	2.4425	3.6989	4.1556	3.9152	1.0998	1.7966		1.7963
H10	2.8985	2.0955	3.1422	4.0954	4.0274	3.0338	1.1021	1.8004	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.960	C1	N2	C7	131.193
C1	N5	N4	105.643	N2	C1	N5	108.741
N2	C1	H6	124.580	N2	N3	N4	106.416
N2	C7	H8	110.828	N2	C7	H9	106.869
N2	C7	H10	110.858	N3	N2	C7	120.847
N3	N4	N5	111.239	N5	C1	H6	126.678
H8	C7	H9	109.368	H8	C7	H10	109.533
H9	C7	H10	109.330

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.190
2	N	-0.197
3	N	-0.064
4	N	-0.094
5	N	-0.286
6	H	0.216
7	C	-0.452
8	H	0.222
9	H	0.242
10	H	0.222

	x	y	z	Total
	5.292	2.432	-0.001	5.823
CHELPG
AIM
ESP

	x	y	z
x	8.139	0.171	-0.001
y	0.171	6.869	-0.000
z	-0.001	-0.000	3.806

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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