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	hartrees
Energy at 0K	-294.089037
Energy at 298.15K	-294.096721
Nuclear repulsion energy	230.682377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3524	3191	0.10
2	A	3344	3028	0.97
3	A	3317	3003	8.89
4	A	3243	2937	14.96
5	A	1673	1515	13.29
6	A	1654	1498	13.05
7	A	1611	1459	2.30
8	A	1555	1408	2.46
9	A	1481	1341	62.47
10	A	1375	1246	4.62
11	A	1362	1233	5.16
12	A	1270	1150	0.01
13	A	1252	1134	8.28
14	A	1180	1069	17.63
15	A	1117	1012	3.78
16	A	1053	954	18.12
17	A	1029	932	7.64
18	A	990	897	83.11
19	A	785	711	14.84
20	A	734	664	0.78
21	A	717	649	15.78
22	A	363	329	6.44
23	A	247	223	11.13
24	A	74	67	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.310	-1.187	0.000
C2	1.422	-0.610	0.000
N3	0.211	-1.115	0.000
N4	1.411	0.755	0.000
N5	0.152	1.122	-0.000
N6	-0.570	-0.011	-0.000
H7	-2.371	-0.562	-0.882
H8	-2.368	0.976	-0.003
H9	-2.371	-0.556	0.886
C10	-2.027	-0.045	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0589	2.1005	2.1395	3.1600	3.1113	4.8039	5.1538	4.8054	4.4842
C2	1.0589		1.3123	1.3648	2.1474	2.0806	3.8942	4.1084	3.8952	3.4943
N3	2.1005	1.3123		2.2220	2.2376	1.3525	2.7834	3.3199	2.7859	2.4797
N4	2.1395	1.3648	2.2220		1.3114	2.1245	4.1008	3.7858	4.0997	3.5298
N5	3.1600	2.1474	2.2376	1.3114		1.3437	3.1591	2.5245	3.1570	2.4719
N6	3.1113	2.0806	1.3525	2.1245	1.3437		2.0792	2.0506	2.0794	1.4565
H7	4.8039	3.8942	2.7834	4.1008	3.1591	2.0792		1.7717	1.7686	1.0789
H8	5.1538	4.1084	3.3199	3.7858	2.5245	2.0506	1.7717		1.7717	1.0772
H9	4.8054	3.8952	2.7859	4.0997	3.1570	2.0794	1.7686	1.7717		1.0790
C10	4.4842	3.4943	2.4797	3.5298	2.4719	1.4565	1.0789	1.0772	1.0790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	124.366	H1	C2	N4	123.449
C2	N3	N6	102.648	C2	N4	N5	106.702
N3	C2	N4	112.185	N3	N6	N5	112.179
N3	N6	C10	123.911	N4	N5	N6	106.285
N5	N6	C10	123.909	N6	C10	H7	109.276
N6	C10	H8	107.112	N6	C10	H9	109.290
H7	C10	H8	110.508	H7	C10	H9	110.088
H8	C10	H9	110.504

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

using model chemistry: HF/3-21G

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	0.299	0.034	0.038
2	C	0.298	0.570	0.624
3	N	-0.315	-0.664	-0.681
4	N	-0.371	-0.431	-0.460
5	N	0.004	-0.250	-0.242
6	N	-0.383	0.688	0.669
7	H	0.256	0.144	0.197
8	H	0.262	0.106	0.160
9	H	0.256	0.144	0.196
10	C	-0.306	-0.340	-0.503

	x	y	z	Total
	-2.587	-1.615	-0.000	3.050
CHELPG	-2.429	-1.413	0.000	2.810
AIM
ESP	-2.528	-1.601	-0.000	2.992

	x	y	z
x	7.463	-0.158	-0.000
y	-0.158	5.472	0.000
z	-0.000	0.000	2.955

<r²>	125.633
(<r²>)^1/2	11.209

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

using model chemistry: HF/3-21G

States and conformations

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