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	hartrees
Energy at 0K	-297.475872
Energy at 298.15K	-297.483443
HF Energy	-297.475872
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	3156	0.52
2	A	3228	3061	0.65
3	A	3202	3037	5.59
4	A	3114	2953	16.64
5	A	1554	1474	5.06
6	A	1526	1448	14.64
7	A	1510	1432	12.13
8	A	1472	1397	2.92
9	A	1466	1390	11.84
10	A	1358	1288	15.87
11	A	1353	1283	12.52
12	A	1291	1225	12.57
13	A	1185	1124	10.46
14	A	1170	1110	0.04
15	A	1074	1019	32.53
16	A	1063	1009	8.58
17	A	1042	988	4.36
18	A	910	863	10.83
19	A	738	700	14.22
20	A	733	696	5.50
21	A	703	667	6.64
22	A	379	359	5.32
23	A	234	222	5.39
24	A	61	58	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	2.304	-1.196	-0.001
C2	1.408	-0.596	-0.002
N3	0.186	-1.114	0.000
N4	1.407	0.749	0.002
N5	0.147	1.107	-0.002
N6	-0.552	-0.017	-0.000
H7	-2.358	-0.553	-0.891
H8	-2.337	1.002	-0.003
H9	-2.358	-0.546	0.896
C10	-2.001	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0789	2.1195	2.1419	3.1553	3.0898	4.7895	5.1349	4.7913	4.4590
C2	1.0789		1.3270	1.3444	2.1183	2.0434	3.8694	4.0709	3.8710	3.4546
N3	2.1195	1.3270		2.2272	2.2208	1.3218	2.7533	3.2926	2.7558	2.4391
N4	2.1419	1.3444	2.2272		1.3100	2.1037	4.0824	3.7521	4.0800	3.4967
N5	3.1553	2.1183	2.2208	1.3100		1.3236	3.1331	2.4855	3.1318	2.4318
N6	3.0898	2.0434	1.3218	2.1037	1.3236		2.0833	2.0551	2.0836	1.4489
H7	4.7895	3.8694	2.7533	4.0824	3.1331	2.0833		1.7903	1.7861	1.0910
H8	5.1349	4.0709	3.2926	3.7521	2.4855	2.0551	1.7903		1.7903	1.0893
H9	4.7913	3.8710	2.7558	4.0800	3.1318	2.0836	1.7861	1.7903		1.0910
C10	4.4590	3.4546	2.4391	3.4967	2.4318	1.4489	1.0910	1.0893	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.187	H1	C2	N4	123.854
C2	N3	N6	100.963	C2	N4	N5	105.876
N3	C2	N4	112.958	N3	N6	N5	114.174
N3	N6	C10	123.293	N4	N5	N6	106.028
N5	N6	C10	122.534	N6	C10	H7	109.406
N6	C10	H8	107.284	N6	C10	H9	109.432
H7	C10	H8	110.397	H7	C10	H9	109.879
H8	C10	H9	110.396

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

using model chemistry: wB97X-D/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	H	0.212
2	C	0.178
3	N	-0.281
4	N	-0.297
5	N	-0.055
6	N	-0.056
7	H	0.217
8	H	0.226
9	H	0.217
10	C	-0.362

	x	y	z	Total
	-2.503	-1.479	0.000	2.907
CHELPG
AIM
ESP

	x	y	z
x	8.266	-0.137	0.000
y	-0.137	6.346	0.000
z	0.000	0.000	3.701

<r²>	123.114
(<r²>)^1/2	11.096

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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