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	hartrees
Energy at 0K	-297.486518
Energy at 298.15K	-297.494154
Nuclear repulsion energy	233.267216

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3303	3163	0.41
2	A	3206	3071	0.29
3	A	3172	3037	4.28
4	A	3086	2956	15.95
5	A	1530	1465	5.87
6	A	1492	1429	12.17
7	A	1473	1410	9.80
8	A	1452	1391	5.84
9	A	1436	1376	3.29
10	A	1343	1286	19.35
11	A	1333	1277	6.88
12	A	1280	1226	12.01
13	A	1178	1128	9.81
14	A	1147	1099	0.10
15	A	1068	1022	30.20
16	A	1050	1005	8.40
17	A	1029	985	6.92
18	A	908	869	8.01
19	A	732	701	3.27
20	A	731	700	13.06
21	A	704	674	8.53
22	A	368	353	4.81
23	A	238	228	4.21
24	A	96	92	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	2.299	-1.192	-0.000
C2	1.404	-0.594	-0.000
N3	0.187	-1.111	0.000
N4	1.399	0.751	0.001
N5	0.144	1.101	-0.001
N6	-0.550	-0.019	-0.000
H7	-2.355	-0.550	-0.888
H8	-2.324	1.001	-0.003
H9	-2.355	-0.545	0.892
C10	-1.991	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0768	2.1143	2.1411	3.1469	3.0816	4.7812	5.1168	4.7826	4.4444
C2	1.0768		1.3229	1.3443	2.1117	2.0371	3.8624	4.0545	3.8634	3.4415
N3	2.1143	1.3229		2.2217	2.2122	1.3174	2.7497	3.2805	2.7519	2.4298
N4	2.1411	1.3443	2.2217		1.3032	2.0959	4.0710	3.7312	4.0698	3.4804
N5	3.1469	2.1117	2.2122	1.3032		1.3174	3.1235	2.4694	3.1219	2.4182
N6	3.0816	2.0371	1.3174	2.0959	1.3174		2.0800	2.0458	2.0802	1.4413
H7	4.7812	3.8624	2.7497	4.0710	3.1235	2.0800		1.7864	1.7796	1.0896
H8	5.1168	4.0545	3.2805	3.7312	2.4694	2.0458	1.7864		1.7864	1.0872
H9	4.7826	3.8634	2.7519	4.0698	3.1219	2.0802	1.7796	1.7864		1.0896
C10	4.4444	3.4415	2.4298	3.4804	2.4182	1.4413	1.0896	1.0872	1.0896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.217	H1	C2	N4	123.973
C2	N3	N6	100.990	C2	N4	N5	105.794
N3	C2	N4	112.810	N3	N6	N5	114.194
N3	N6	C10	123.410	N4	N5	N6	106.211
N5	N6	C10	122.396	N6	C10	H7	109.756
N6	C10	H8	107.182	N6	C10	H9	109.772
H7	C10	H8	110.305	H7	C10	H9	109.500
H8	C10	H9	110.298

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.157
2	C	0.097
3	N	-0.259
4	N	-0.223
5	N	-0.110
6	N	0.134
7	H	0.173
8	H	0.184
9	H	0.173
10	C	-0.324

	x	y	z	Total
	-2.420	-1.405	-0.000	2.798
CHELPG
AIM
ESP

	x	y	z
x	8.732	-0.162	-0.000
y	-0.162	6.557	0.000
z	-0.000	0.000	4.107

<r²>	122.339
(<r²>)^1/2	11.061

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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