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	hartrees
Energy at 0K	-297.386702
Energy at 298.15K	-297.380614
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3306	3175	0.75
2	A	3199	3072	1.19
3	A	3163	3038	7.15
4	A	3090	2967	18.81
5	A	1536	1475	6.01
6	A	1506	1446	10.30
7	A	1497	1438	11.39
8	A	1468	1410	0.98
9	A	1420	1363	15.33
10	A	1326	1273	14.24
11	A	1314	1262	9.12
12	A	1251	1202	11.50
13	A	1169	1122	10.78
14	A	1161	1115	0.02
15	A	1047	1005	28.84
16	A	1042	1001	18.39
17	A	1025	985	3.57
18	A	886	851	9.12
19	A	723	694	5.31
20	A	718	690	13.56
21	A	689	662	5.72
22	A	373	358	5.08
23	A	230	221	5.00
24	A	86	82	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.309	-1.202	-0.000
C2	1.412	-0.601	-0.000
N3	0.188	-1.120	0.000
N4	1.412	0.753	0.001
N5	0.150	1.113	-0.000
N6	-0.556	-0.016	-0.000
H7	-2.370	-0.552	-0.891
H8	-2.344	1.003	-0.003
H9	-2.370	-0.547	0.895
C10	-2.008	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0797	2.1227	2.1498	3.1652	3.1003	4.8066	5.1485	4.8080	4.4722
C2	1.0797		1.3298	1.3531	2.1282	2.0527	3.8852	4.0837	3.8861	3.4667
N3	2.1227	1.3298		2.2376	2.2335	1.3308	2.7669	3.3039	2.7692	2.4499
N4	2.1498	1.3531	2.2376		1.3130	2.1133	4.0990	3.7646	4.0976	3.5099
N5	3.1652	2.1282	2.2335	1.3130		1.3320	3.1488	2.4963	3.1471	2.4441
N6	3.1003	2.0527	1.3308	2.1133	1.3320		2.0904	2.0581	2.0906	1.4524
H7	4.8066	3.8852	2.7669	4.0990	3.1488	2.0904		1.7910	1.7853	1.0924
H8	5.1485	4.0837	3.3039	3.7646	2.4963	2.0581	1.7910		1.7910	1.0897
H9	4.8080	3.8861	2.7692	4.0976	3.1471	2.0906	1.7853	1.7910		1.0924
C10	4.4722	3.4667	2.4499	3.5099	2.4441	1.4524	1.0924	1.0897	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.189	H1	C2	N4	123.789
C2	N3	N6	100.977	C2	N4	N5	105.915
N3	C2	N4	113.022	N3	N6	N5	114.024
N3	N6	C10	123.285	N4	N5	N6	106.062
N5	N6	C10	122.691	N6	C10	H7	109.651
N6	C10	H8	107.251	N6	C10	H9	109.667
H7	C10	H8	110.323	H7	C10	H9	109.599
H8	C10	H9	110.317

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

using model chemistry: G3B3

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	ESP
1	H	0.178	0.030	0.044
2	C	0.207	0.499	0.492
3	N	-0.280	-0.593	-0.603
4	N	-0.288	-0.376	-0.386
5	N	-0.062	-0.259	-0.261
6	N	-0.043	0.664	0.690
7	H	0.196	0.153	0.174
8	H	0.204	0.117	0.142
9	H	0.196	0.153	0.174
10	C	-0.309	-0.388	-0.467

	x	y	z	Total
	-2.456	-1.444	-0.000	2.849
CHELPG	-2.386	-1.395	-0.001	2.764
AIM
ESP	-2.419	-1.432	-0.001	2.811

<r²>	124.153
(<r²>)^1/2	11.142

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

using model chemistry: G3B3

States and conformations

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