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	hartrees
Energy at 0K	-295.847452
Energy at 298.15K	-295.854861
Nuclear repulsion energy	228.134683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3210	6.53
2	A	3133	3070	0.33
3	A	3105	3042	3.96
4	A	3014	2953	13.41
5	A	1493	1463	30.57
6	A	1480	1450	19.32
7	A	1470	1441	22.54
8	A	1414	1386	4.59
9	A	1391	1363	1.21
10	A	1254	1229	1.44
11	A	1176	1152	10.65
12	A	1146	1123	11.27
13	A	1132	1109	0.67
14	A	1075	1053	12.30
15	A	1031	1010	0.10
16	A	940	921	25.70
17	A	886	868	12.30
18	A	831	814	18.50
19	A	708	694	1.04
20	A	691	677	1.92
21	A	667	653	11.91
22	A	357	349	3.07
23	A	247	242	0.17
24	A	71	70	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	1.088	-0.000
N2	0.583	0.036	-0.000
N3	-0.163	-1.126	-0.000
N4	-1.425	-0.748	0.000
N5	-1.522	0.637	0.000
H6	0.032	2.131	0.000
C7	2.017	-0.018	0.000
H8	2.429	0.465	0.900
H9	2.298	-1.081	-0.000
H10	2.430	0.466	-0.900

	C1	N2	N3	N4	N5	H6	C7	H8	H9	H10
C1		1.3522	2.2170	2.1711	1.3342	1.0847	2.5370	2.9099	3.3591	2.9096
N2	1.3522		1.3810	2.1555	2.1888	2.1660	1.4349	2.0987	2.0470	2.0987
N3	2.2170	1.3810		1.3177	2.2261	3.2631	2.4453	3.1721	2.4617	3.1724
N4	2.1711	2.1555	1.3177		1.3880	3.2268	3.5184	4.1399	3.7383	4.1401
N5	1.3342	2.1888	2.2261	1.3880		2.1562	3.5987	4.0564	4.1887	4.0563
H6	1.0847	2.1660	3.2631	3.2268	2.1562		2.9247	3.0549	3.9305	3.0543
C7	2.5370	1.4349	2.4453	3.5184	3.5987	2.9247		1.1017	1.0997	1.1017
H8	2.9099	2.0987	3.1721	4.1399	4.0564	3.0549	1.1017		1.7936	1.8000
H9	3.3591	2.0470	2.4617	3.7383	4.1887	3.9305	1.0997	1.7936		1.7936
H10	2.9096	2.0987	3.1724	4.1401	4.0563	3.0543	1.1017	1.8000	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.409	C1	N2	C7	131.058
C1	N5	N4	105.779	N2	C1	N5	109.127
N2	C1	H6	125.090	N2	N3	N4	105.994
N2	C7	H8	110.980	N2	C7	H9	106.990
N2	C7	H10	110.979	N3	N2	C7	120.533
N3	N4	N5	110.692	N5	C1	H6	125.784
H8	C7	H9	109.130	H8	C7	H10	109.561
H9	C7	H10	109.135

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-methyl-)

using model chemistry: LSDA/6-31G

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	C	0.257
2	N	-0.457
3	N	0.014
4	N	-0.100
5	N	-0.270
6	H	0.237
7	C	-0.357
8	H	0.220
9	H	0.237
10	H	0.220

	x	y	z	Total
	5.774	2.663	0.000	6.358
CHELPG
AIM
ESP

	x	y	z
x	8.151	0.195	0.000
y	0.195	6.895	0.000
z	0.000	0.000	3.590

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H4N4 (1H-Tetrazole, 1-methyl-)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₂H₄N₄ (1H-Tetrazole, 1-methyl-)