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	hartrees
Energy at 0K	-53.267451
Energy at 298.15K	-53.274929
Nuclear repulsion energy	120.617457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3280	3168	1.69
2	A	3187	3078	5.22
3	A	3155	3047	18.19
4	A	3076	2970	27.36
5	A	1507	1456	5.00
6	A	1477	1426	11.13
7	A	1474	1424	15.55
8	A	1445	1396	0.62
9	A	1397	1349	22.66
10	A	1307	1262	12.97
11	A	1305	1260	13.90
12	A	1241	1198	14.85
13	A	1149	1110	12.86
14	A	1137	1098	0.13
15	A	1032	996	23.88
16	A	1027	992	15.87
17	A	1001	967	3.51
18	A	880	850	20.99
19	A	703	679	6.02
20	A	696	672	14.82
21	A	666	643	4.84
22	A	355	343	4.74
23	A	222	214	5.74
24	A	89	86	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	2.380	-1.177	-0.000
C2	1.469	-0.582	0.000
N3	0.241	-1.124	0.000
N4	1.457	0.784	-0.000
N5	0.175	1.134	0.000
N6	-0.524	-0.017	-0.000
H7	-2.346	-0.582	-0.898
H8	-2.343	0.987	-0.003
H9	-2.346	-0.576	0.902
C10	-1.992	-0.053	-0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0882	2.1394	2.1677	3.1942	3.1273	4.8474	5.1954	4.8489	4.5140
C2	1.0882		1.3424	1.3657	2.1489	2.0718	3.9197	4.1225	3.9206	3.5011
N3	2.1394	1.3424		2.2621	2.2587	1.3460	2.7921	3.3370	2.7943	2.4765
N4	2.1677	1.3657	2.2621		1.3284	2.1363	4.1392	3.8052	4.1381	3.5486
N5	3.1942	2.1489	2.2587	1.3284		1.3461	3.1792	2.5225	3.1769	2.4707
N6	3.1273	2.0718	1.3460	2.1363	1.3461		2.1086	2.0777	2.1088	1.4683
H7	4.8474	3.9197	2.7921	4.1392	3.1792	2.1086		1.8061	1.8000	1.1009
H8	5.1954	4.1225	3.3370	3.8052	2.5225	2.0777	1.8061		1.8061	1.0979
H9	4.8489	3.9206	2.7943	4.1381	3.1769	2.1088	1.8000	1.8061		1.1009
C10	4.5140	3.5011	2.4765	3.5486	2.4707	1.4683	1.1009	1.0979	1.1009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	122.994	H1	C2	N4	123.710
C2	N3	N6	100.820	C2	N4	N5	105.799
N3	C2	N4	113.296	N3	N6	N5	114.068
N3	N6	C10	123.218	N4	N5	N6	106.016
N5	N6	C10	122.714	N6	C10	H7	109.490
N6	C10	H8	107.237	N6	C10	H9	109.499
H7	C10	H8	110.454	H7	C10	H9	109.674
H8	C10	H9	110.446

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

using model chemistry: B3LYP/CEP-31G*

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	0.280
2	C	-0.599
3	N	0.117
4	N	0.061
5	N	-0.081
6	N	0.140
7	H	0.215
8	H	0.239
9	H	0.215
10	C	-0.586

	x	y	z	Total
	-2.551	-1.552	-0.001	2.986
CHELPG
AIM
ESP

	x	y	z
x	8.756	-0.072	0.000
y	-0.072	6.764	0.002
z	0.000	0.002	3.963

<r²>	102.157
(<r²>)^1/2	10.107

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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