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	hartrees
Energy at 0K	-295.897917
Energy at 298.15K	-295.905807
Nuclear repulsion energy	236.180208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3435	3121	0.96
2	A	3313	3010	2.54
3	A	3278	2979	10.77
4	A	3207	2914	27.65
5	A	1682	1528	12.21
6	A	1628	1479	13.32
7	A	1602	1455	10.44
8	A	1587	1442	10.67
9	A	1575	1431	25.53
10	A	1481	1346	11.35
11	A	1455	1322	26.96
12	A	1392	1265	27.58
13	A	1258	1143	10.64
14	A	1257	1142	0.25
15	A	1164	1057	34.47
16	A	1146	1041	20.99
17	A	1128	1025	8.26
18	A	1025	931	10.61
19	A	802	728	4.36
20	A	768	698	11.63
21	A	767	697	22.08
22	A	407	369	5.85
23	A	256	232	5.07
24	A	95	86	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.289	-1.171	0.000
C2	1.397	-0.586	0.000
N3	0.199	-1.087	-0.000
N4	1.377	0.748	-0.000
N5	0.141	1.074	0.000
N6	-0.540	-0.013	-0.000
H7	-2.335	-0.556	-0.881
H8	-2.329	0.980	-0.003
H9	-2.335	-0.551	0.884
C10	-1.985	-0.040	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0665	2.0922	2.1248	3.1069	3.0571	4.7473	5.0943	4.7484	4.4210
C2	1.0665		1.2994	1.3342	2.0816	2.0205	3.8352	4.0419	3.8357	3.4260
N3	2.0922	1.2994		2.1810	2.1614	1.3036	2.7343	3.2651	2.7364	2.4214
N4	2.1248	1.3342	2.1810		1.2784	2.0629	4.0319	3.7131	4.0311	3.4531
N5	3.1069	2.0816	2.1614	1.2784		1.2824	3.0923	2.4714	3.0903	2.3998
N6	3.0571	2.0205	1.3036	2.0629	1.2824		2.0717	2.0458	2.0718	1.4449
H7	4.7473	3.8352	2.7343	4.0319	3.0923	2.0717		1.7695	1.7648	1.0793
H8	5.0943	4.0419	3.2651	3.7131	2.4714	2.0458	1.7695		1.7695	1.0768
H9	4.7484	3.8357	2.7364	4.0311	3.0903	2.0718	1.7648	1.7695		1.0793
C10	4.4210	3.4260	2.4214	3.4531	2.3998	1.4449	1.0793	1.0768	1.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	124.047	H1	C2	N4	124.142
C2	N3	N6	101.836	C2	N4	N5	105.621
N3	C2	N4	111.811	N3	N6	N5	113.401
N3	N6	C10	123.444	N4	N5	N6	107.329
N5	N6	C10	123.154	N6	C10	H7	109.468
N6	C10	H8	107.552	N6	C10	H9	109.477
H7	C10	H8	110.316	H7	C10	H9	109.683
H8	C10	H9	110.311

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.174
2	C	0.948
3	N	-0.625
4	N	-0.760
5	N	-0.231
6	N	-0.129
7	H	0.136
8	H	0.143
9	H	0.136
10	C	0.208

	x	y	z	Total
	-2.523	-1.436	0.001	2.903
CHELPG
AIM
ESP

	x	y	z
x	8.970	0.008	-0.000
y	0.008	7.085	-0.000
z	-0.000	-0.000	5.035

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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