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	hartrees
Energy at 0K	-297.560850
Energy at 298.15K	-297.568516
Nuclear repulsion energy	233.955153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3159	0.37
2	A	3203	3066	0.40
3	A	3169	3033	5.05
4	A	3092	2959	16.39
5	A	1534	1468	5.76
6	A	1499	1435	14.27
7	A	1482	1418	10.91
8	A	1455	1392	6.15
9	A	1444	1382	4.88
10	A	1346	1288	17.43
11	A	1335	1278	8.71
12	A	1277	1222	13.46
13	A	1179	1128	9.36
14	A	1151	1102	0.05
15	A	1071	1025	29.12
16	A	1052	1007	9.12
17	A	1035	991	5.40
18	A	911	872	11.42
19	A	737	706	3.53
20	A	731	700	13.31
21	A	709	679	9.10
22	A	372	356	4.92
23	A	241	231	4.21
24	A	94	90	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	2.296	-1.187	-0.000
C2	1.403	-0.591	-0.000
N3	0.189	-1.105	0.000
N4	1.394	0.749	0.001
N5	0.143	1.096	-0.000
N6	-0.549	-0.019	-0.000
H7	-2.349	-0.550	-0.885
H8	-2.322	0.995	-0.003
H9	-2.349	-0.545	0.888
C10	-1.989	-0.035	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0736	2.1090	2.1358	3.1381	3.0753	4.7712	5.1077	4.7725	4.4370
C2	1.0736		1.3186	1.3404	2.1057	2.0338	3.8549	4.0487	3.8558	3.4370
N3	2.1090	1.3186		2.2119	2.2015	1.3131	2.7441	3.2734	2.7462	2.4261
N4	2.1358	1.3404	2.2119		1.2986	2.0892	4.0601	3.7246	4.0588	3.4729
N5	3.1381	2.1057	2.2015	1.2986		1.3116	3.1146	2.4671	3.1130	2.4133
N6	3.0753	2.0338	1.3131	2.0892	1.3116		2.0751	2.0427	2.0753	1.4403
H7	4.7712	3.8549	2.7441	4.0601	3.1146	2.0751		1.7794	1.7730	1.0853
H8	5.1077	4.0487	3.2734	3.7246	2.4671	2.0427	1.7794		1.7794	1.0829
H9	4.7725	3.8558	2.7462	4.0588	3.1130	2.0753	1.7730	1.7794		1.0854
C10	4.4370	3.4370	2.4261	3.4729	2.4133	1.4403	1.0853	1.0829	1.0854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.354	H1	C2	N4	124.069
C2	N3	N6	101.216	C2	N4	N5	105.850
N3	C2	N4	112.577	N3	N6	N5	114.019
N3	N6	C10	123.496	N4	N5	N6	106.338
N5	N6	C10	122.485	N6	C10	H7	109.698
N6	C10	H8	107.263	N6	C10	H9	109.713
H7	C10	H8	110.306	H7	C10	H9	109.531
H8	C10	H9	110.300

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

using model chemistry: B1B95/cc-pVTZ

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	0.140
2	C	-0.058
3	N	-0.186
4	N	-0.157
5	N	-0.089
6	N	0.160
7	H	0.133
8	H	0.137
9	H	0.133
10	C	-0.213

	x	y	z	Total
	-2.474	-1.423	-0.001	2.854
CHELPG
AIM
ESP

	x	y	z
x	9.177	-0.141	-0.000
y	-0.141	6.998	0.000
z	-0.000	0.000	4.577

<r²>	122.125
(<r²>)^1/2	11.051

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

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