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	hartrees
Energy at 0K	-296.009607
Energy at 298.15K	-296.017175
Nuclear repulsion energy	232.714867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3227	3178	0.68
2	A	3128	3081	0.46
3	A	3098	3051	0.65
4	A	3010	2965	10.55
5	A	1479	1457	9.37
6	A	1444	1423	9.81
7	A	1431	1410	11.39
8	A	1410	1389	17.14
9	A	1378	1358	2.53
10	A	1321	1301	20.68
11	A	1298	1279	14.28
12	A	1261	1242	6.02
13	A	1151	1134	10.58
14	A	1098	1082	0.54
15	A	1047	1031	19.81
16	A	1009	993	13.49
17	A	1004	989	1.58
18	A	853	841	13.65
19	A	734	723	8.96
20	A	712	701	3.72
21	A	690	679	8.23
22	A	371	366	6.02
23	A	236	232	5.11
24	A	97	96	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.314	-1.200	-0.000
C2	1.408	-0.594	-0.000
N3	0.184	-1.112	0.000
N4	1.400	0.751	0.001
N5	0.142	1.107	-0.000
N6	-0.556	-0.021	-0.000
H7	-2.357	-0.555	-0.897
H8	-2.321	1.011	-0.003
H9	-2.357	-0.550	0.900
C10	-1.987	-0.035	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0891	2.1317	2.1541	3.1676	3.1025	4.7997	5.1354	4.8010	4.4558
C2	1.0891		1.3294	1.3458	2.1204	2.0464	3.8710	4.0606	3.8718	3.4413
N3	2.1317	1.3294		2.2255	2.2192	1.3186	2.7517	3.2841	2.7537	2.4235
N4	2.1541	1.3458	2.2255		1.3072	2.1033	4.0783	3.7307	4.0771	3.4778
N5	3.1676	2.1204	2.2192	1.3072		1.3263	3.1327	2.4655	3.1311	2.4165
N6	3.1025	2.0464	1.3186	2.1033	1.3263		2.0818	2.0449	2.0820	1.4313
H7	4.7997	3.8710	2.7517	4.0783	3.1327	2.0818		1.8043	1.7969	1.1008
H8	5.1354	4.0606	3.2841	3.7307	2.4655	2.0449	1.8043		1.8042	1.0988
H9	4.8010	3.8718	2.7537	4.0771	3.1311	2.0820	1.7969	1.8042		1.1009
C10	4.4558	3.4413	2.4235	3.4778	2.4165	1.4313	1.1008	1.0988	1.1009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.322	H1	C2	N4	124.093
C2	N3	N6	101.213	C2	N4	N5	106.110
N3	C2	N4	112.585	N3	N6	N5	114.088
N3	N6	C10	123.553	N4	N5	N6	106.004
N5	N6	C10	122.359	N6	C10	H7	109.921
N6	C10	H8	107.115	N6	C10	H9	109.934
H7	C10	H8	110.224	H7	C10	H9	109.404
H8	C10	H9	110.217

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

using model chemistry: LSDA/6-31+G**

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	0.187
2	C	-0.064
3	N	-0.159
4	N	-0.266
5	N	-0.007
6	N	0.118
7	H	0.217
8	H	0.224
9	H	0.217
10	C	-0.467

	x	y	z	Total
	-2.566	-1.562	-0.000	3.004
CHELPG
AIM
ESP

	x	y	z
x	9.711	0.016	-0.001
y	0.016	7.812	0.000
z	-0.001	0.000	5.120

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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