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	hartrees
Energy at 0K	-294.321113
Energy at 298.15K	-294.328491
Nuclear repulsion energy	227.561733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3198	1.05
2	A	3120	3064	0.47
3	A	3093	3037	1.33
4	A	3012	2958	5.43
5	A	1496	1469	20.14
6	A	1475	1448	21.01
7	A	1419	1393	18.23
8	A	1367	1342	4.05
9	A	1334	1310	0.27
10	A	1228	1206	12.31
11	A	1180	1159	12.93
12	A	1116	1096	1.72
13	A	1103	1083	8.82
14	A	1086	1067	1.94
15	A	981	964	1.18
16	A	950	933	18.13
17	A	887	871	22.68
18	A	836	821	27.81
19	A	700	688	8.53
20	A	676	664	2.64
21	A	658	646	1.06
22	A	333	327	5.22
23	A	221	217	7.63
24	A	108	106	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.322	-1.222	0.000
C2	1.424	-0.616	0.000
N3	0.185	-1.144	-0.000
N4	1.442	0.751	-0.000
N5	0.153	1.159	-0.000
N6	-0.582	-0.022	-0.000
H7	-2.393	-0.550	-0.900
H8	-2.340	1.017	-0.001
H9	-2.393	-0.547	0.902
C10	-2.020	-0.035	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0833	2.1380	2.1603	3.2211	3.1422	4.8466	5.1712	4.8471	4.5009
C2	1.0833		1.3466	1.3671	2.1835	2.0922	3.9220	4.1025	3.9222	3.4924
N3	2.1380	1.3466		2.2740	2.3039	1.3597	2.7943	3.3234	2.7957	2.4681
N4	2.1603	1.3671	2.2740		1.3522	2.1666	4.1480	3.7909	4.1475	3.5501
N5	3.2211	2.1835	2.3039	1.3522		1.3913	3.1956	2.4967	3.1945	2.4798
N6	3.1422	2.0922	1.3597	2.1666	1.3913		2.0896	2.0415	2.0898	1.4378
H7	4.8466	3.9220	2.7943	4.1480	3.1956	2.0896		1.8066	1.8014	1.1014
H8	5.1712	4.1025	3.3234	3.7909	2.4967	2.0415	1.8066		1.8066	1.0999
H9	4.8471	3.9222	2.7957	4.1475	3.1945	2.0898	1.8014	1.8066		1.1015
C10	4.5009	3.4924	2.4681	3.5501	2.4798	1.4378	1.1014	1.0999	1.1015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	122.884	H1	C2	N4	123.264
C2	N3	N6	101.261	C2	N4	N5	106.829
N3	C2	N4	113.852	N3	N6	N5	113.750
N3	N6	C10	123.808	N4	N5	N6	104.308
N5	N6	C10	122.442	N6	C10	H7	110.051
N6	C10	H8	106.351	N6	C10	H9	110.060
H7	C10	H8	110.308	H7	C10	H9	109.721
H8	C10	H9	110.302

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	H	0.270
2	C	0.154
3	N	-0.237
4	N	-0.278
5	N	-0.036
6	N	-0.245
7	H	0.271
8	H	0.272
9	H	0.271
10	C	-0.444

	x	y	z	Total
	-2.574	-1.523	0.001	2.990
CHELPG
AIM
ESP

	x	y	z
x	8.279	-0.242	0.000
y	-0.242	5.968	-0.000
z	0.000	-0.000	3.134

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H4N4 (2H-Tetrazole, 2-methyl-)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)