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	hartrees
Energy at 0K	-295.809125
Energy at 298.15K	-295.816836
Nuclear repulsion energy	232.215892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3929	3547	125.18
2	A	3317	2994	3.36
3	A	3203	2891	14.68
4	A	1787	1613	62.56
5	A	1636	1476	3.76
6	A	1615	1458	19.48
7	A	1572	1418	28.46
8	A	1551	1400	4.45
9	A	1458	1316	15.53
10	A	1242	1121	20.30
11	A	1206	1089	3.07
12	A	1187	1072	27.49
13	A	1128	1018	1.54
14	A	1085	979	3.02
15	A	732	661	5.22
16	A	364	329	4.57
17	A	3266	2948	14.41
18	A	1610	1453	9.02
19	A	1172	1058	2.01
20	A	813	734	5.33
21	A	773	698	8.33
22	A	627	566	111.75
23	A	301	272	0.03
24	A	87	79	0.66

Atom	x (Å)	y (Å)	z (Å)
N1	-1.123	-0.056	0.000
C2	0.000	0.584	0.000
C3	0.188	2.063	0.000
H4	0.735	2.383	0.880
H5	0.735	2.383	-0.880
H6	-0.784	2.535	0.000
N7	0.976	-0.327	0.000
N8	0.423	-1.536	0.000
N9	-0.814	-1.361	0.000
H10	1.963	-0.221	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.2928	2.4915	3.1901	3.1901	2.6127	2.1162	2.1405	1.3416	3.0903
C2	1.2928		1.4905	2.1334	2.1334	2.1022	1.3345	2.1620	2.1091	2.1212
C3	2.4915	1.4905		1.0845	1.0845	1.0802	2.5158	3.6066	3.5678	2.8921
H4	3.1901	2.1334	1.0845		1.7596	1.7617	2.8593	4.0292	4.1470	3.0105
H5	3.1901	2.1334	1.0845	1.7596		1.7617	2.8593	4.0292	4.1470	3.0105
H6	2.6127	2.1022	1.0802	1.7617	1.7617		3.3589	4.2459	3.8962	3.8904
N7	2.1162	1.3345	2.5158	2.8593	2.8593	3.3589		1.3299	2.0676	0.9927
N8	2.1405	2.1620	3.6066	4.0292	4.0292	4.2459	1.3299		1.2495	2.0252
N9	1.3416	2.1091	3.5678	4.1470	4.1470	3.8962	2.0676	1.2495		3.0022
H10	3.0903	2.1212	2.8921	3.0105	3.0105	3.8904	0.9927	2.0252	3.0022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.905	N1	C2	N7	107.300
N1	N9	N8	111.351	C2	N1	N9	106.358
C2	C3	H4	110.907	C2	C3	H5	110.907
C2	C3	H6	108.670	C2	N7	N8	108.474
C2	N7	H10	130.851	C3	C2	N7	125.795
H4	C3	H5	108.428	H4	C3	H6	108.943
H5	C3	H6	108.943	N7	N8	N9	106.517
N8	N7	H10	120.675

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

using model chemistry: HF/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	CHELPG
1	N	-0.416	-0.469
2	C	0.568	0.615
3	C	-0.380	-0.489
4	H	0.152	0.130
5	H	0.152	0.130
6	H	0.184	0.160
7	N	-0.505	-0.005
8	N	-0.029	-0.264
9	N	-0.070	-0.038
10	H	0.343	0.230

	x	y	z	Total
	4.362	4.136	0.000	6.011
CHELPG
AIM
ESP

	x	y	z
x	6.369	0.250	0.000
y	0.250	7.208	0.000
z	0.000	0.000	3.675

<r²>	126.342
(<r²>)^1/2	11.240

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

using model chemistry: HF/6-31G**

States and conformations

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