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	hartrees
Energy at 0K	-297.544349
Energy at 298.15K	-297.551965
HF Energy	-297.544349
Nuclear repulsion energy	233.016391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3295	3152	0.19
2	A	3200	3061	0.88
3	A	3174	3036	6.71
4	A	3089	2954	16.39
5	A	1537	1471	6.58
6	A	1504	1439	15.49
7	A	1482	1418	13.37
8	A	1463	1399	12.26
9	A	1447	1384	1.99
10	A	1344	1286	18.20
11	A	1341	1283	8.84
12	A	1284	1228	13.11
13	A	1173	1122	10.61
14	A	1156	1106	0.06
15	A	1071	1024	32.34
16	A	1054	1008	12.28
17	A	1043	998	1.10
18	A	915	875	12.65
19	A	737	705	5.83
20	A	735	703	13.62
21	A	708	677	7.29
22	A	379	363	5.33
23	A	237	227	5.30
24	A	66	63	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	2.302	-1.193	-0.001
C2	1.407	-0.594	-0.001
N3	0.187	-1.110	0.000
N4	1.404	0.748	0.002
N5	0.147	1.103	-0.002
N6	-0.552	-0.018	-0.000
H7	-2.356	-0.552	-0.889
H8	-2.335	1.000	-0.003
H9	-2.356	-0.545	0.894
C10	-2.000	-0.035	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0772	2.1161	2.1386	3.1496	3.0862	4.7854	5.1292	4.7871	4.4554
C2	1.0772		1.3243	1.3416	2.1140	2.0415	3.8667	4.0669	3.8683	3.4527
N3	2.1161	1.3243		2.2210	2.2140	1.3191	2.7520	3.2885	2.7544	2.4377
N4	2.1386	1.3416	2.2210		1.3070	2.1003	4.0776	3.7474	4.0752	3.4932
N5	3.1496	2.1140	2.2140	1.3070		1.3206	3.1294	2.4834	3.1280	2.4298
N6	3.0862	2.0415	1.3191	2.1003	1.3206		2.0817	2.0530	2.0820	1.4487
H7	4.7854	3.8667	2.7520	4.0776	3.1294	2.0817		1.7875	1.7837	1.0893
H8	5.1292	4.0669	3.2885	3.7474	2.4834	2.0530	1.7875		1.7875	1.0875
H9	4.7871	3.8683	2.7544	4.0752	3.1280	2.0820	1.7837	1.7875		1.0893
C10	4.4554	3.4527	2.4377	3.4932	2.4298	1.4487	1.0893	1.0875	1.0893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.242	H1	C2	N4	123.921
C2	N3	N6	101.123	C2	N4	N5	105.899
N3	C2	N4	112.836	N3	N6	N5	114.011
N3	N6	C10	123.396	N4	N5	N6	106.129
N5	N6	C10	122.593	N6	C10	H7	109.396
N6	C10	H8	107.234	N6	C10	H9	109.422
H7	C10	H8	110.408	H7	C10	H9	109.924
H8	C10	H9	110.407

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

using model chemistry: wB97X-D/6-311G**

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	0.142
2	C	0.144
3	N	-0.211
4	N	-0.242
5	N	-0.029
6	N	-0.124
7	H	0.155
8	H	0.153
9	H	0.155
10	C	-0.143

	x	y	z	Total
	-2.523	-1.495	0.000	2.932
CHELPG
AIM
ESP

	x	y	z
x	8.612	-0.154	0.000
y	-0.154	6.616	0.000
z	0.000	0.000	4.074

<r²>	122.984
(<r²>)^1/2	11.090

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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