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	hartrees
Energy at 0K	-295.676077
Energy at 298.15K	-295.683838
Nuclear repulsion energy	228.573247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3971	3575	152.23
2	A	3354	3020	6.09
3	A	3225	2904	21.54
4	A	1751	1577	73.59
5	A	1640	1477	5.69
6	A	1586	1428	4.17
7	A	1541	1387	0.01
8	A	1510	1359	39.63
9	A	1433	1291	29.44
10	A	1196	1077	11.52
11	A	1177	1060	8.96
12	A	1130	1017	20.99
13	A	1110	999	7.69
14	A	1071	965	4.39
15	A	729	657	4.89
16	A	362	326	4.30
17	A	3302	2973	20.57
18	A	1641	1477	17.89
19	A	1208	1087	5.02
20	A	818	736	169.75
21	A	793	714	0.76
22	A	763	687	1.98
23	A	301	271	0.06
24	A	92	83	0.57

Atom	x (Å)	y (Å)	z (Å)
N1	-1.137	-0.060	0.000
C2	0.000	0.604	0.000
C3	0.164	2.085	0.000
H4	0.703	2.416	0.879
H5	0.703	2.416	-0.879
H6	-0.812	2.543	0.000
N7	0.996	-0.311	0.000
N8	0.451	-1.561	0.000
N9	-0.818	-1.398	0.000
H10	1.980	-0.200	0.000

	N1	C2	C3	H4	H5	H6	N7	N8	N9	H10
N1		1.3162	2.5083	3.2075	3.2075	2.6223	2.1475	2.1850	1.3762	3.1204
C2	1.3162		1.4902	2.1334	2.1334	2.1019	1.3522	2.2113	2.1631	2.1376
C3	2.5083	1.4902		1.0829	1.0829	1.0782	2.5361	3.6572	3.6194	2.9193
H4	3.2075	2.1334	1.0829		1.7573	1.7564	2.8800	4.0810	4.2000	3.0414
H5	3.2075	2.1334	1.0829	1.7573		1.7564	2.8800	4.0810	4.2000	3.0414
H6	2.6223	2.1019	1.0782	1.7564	1.7564		3.3780	4.2934	3.9410	3.9145
N7	2.1475	1.3522	2.5361	2.8800	2.8800	3.3780		1.3640	2.1154	0.9906
N8	2.1850	2.2113	3.6572	4.0810	4.0810	4.2934	1.3640		1.2794	2.0473
N9	1.3762	2.1631	3.6194	4.2000	4.2000	3.9410	2.1154	1.2794		3.0444
H10	3.1204	2.1376	2.9193	3.0414	3.0414	3.9145	0.9906	2.0473	3.0444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.593	N1	C2	N7	107.167
N1	N9	N8	110.678	C2	N1	N9	106.892
C2	C3	H4	111.035	C2	C3	H5	111.035
C2	C3	H6	108.784	C2	N7	N8	108.998
C2	N7	H10	131.044	C3	C2	N7	126.240
H4	C3	H5	108.466	H4	C3	H6	108.732
H5	C3	H6	108.732	N7	N8	N9	106.266
N8	N7	H10	119.958

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

using model chemistry: HF/SDD

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	N	-0.231
2	C	0.384
3	C	-0.604
4	H	0.212
5	H	0.212
6	H	0.253
7	N	-0.585
8	N	0.005
9	N	-0.066
10	H	0.421

	x	y	z	Total
	4.751	4.684	0.000	6.671
CHELPG
AIM
ESP

	x	y	z
x	6.595	0.221	0.000
y	0.221	7.290	0.000
z	0.000	0.000	3.681

<r²>	130.186
(<r²>)^1/2	11.410

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

using model chemistry: HF/SDD

States and conformations

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