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	hartrees
Energy at 0K	-297.490914
Energy at 298.15K	-297.498521
HF Energy	-297.490914
Nuclear repulsion energy	232.541766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3322	3164	0.04
2	A	3218	3066	0.38
3	A	3195	3043	4.43
4	A	3102	2955	18.37
5	A	1542	1469	6.40
6	A	1511	1439	16.96
7	A	1488	1417	13.99
8	A	1467	1397	12.61
9	A	1453	1384	3.18
10	A	1354	1290	22.08
11	A	1350	1286	7.81
12	A	1289	1228	13.00
13	A	1180	1124	10.41
14	A	1158	1103	0.00
15	A	1073	1022	26.35
16	A	1059	1008	9.20
17	A	1039	989	2.92
18	A	911	868	14.14
19	A	735	700	13.39
20	A	729	695	5.82
21	A	700	667	6.96
22	A	379	361	5.65
23	A	234	223	5.14
24	A	66	63	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	2.310	-1.193	-0.001
C2	1.413	-0.595	-0.002
N3	0.189	-1.110	0.000
N4	1.407	0.750	0.002
N5	0.145	1.104	-0.002
N6	-0.555	-0.018	-0.000
H7	-2.360	-0.555	-0.890
H8	-2.342	0.999	-0.003
H9	-2.360	-0.549	0.895
C10	-2.005	-0.036	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0784	2.1225	2.1428	3.1574	3.0971	4.7969	5.1433	4.7987	4.4676
C2	1.0784		1.3282	1.3442	2.1204	2.0512	3.8769	4.0798	3.8786	3.4636
N3	2.1225	1.3282		2.2227	2.2148	1.3219	2.7569	3.2950	2.7593	2.4428
N4	2.1428	1.3442	2.2227		1.3110	2.1064	4.0852	3.7574	4.0828	3.5010
N5	3.1574	2.1204	2.2148	1.3110		1.3223	3.1334	2.4893	3.1321	2.4336
N6	3.0971	2.0512	1.3219	2.1064	1.3223		2.0832	2.0562	2.0835	1.4500
H7	4.7969	3.8769	2.7569	4.0852	3.1334	2.0832		1.7896	1.7857	1.0904
H8	5.1433	4.0798	3.2950	3.7574	2.4893	2.0562	1.7896		1.7897	1.0889
H9	4.7987	3.8786	2.7593	4.0828	3.1321	2.0835	1.7857	1.7897		1.0905
C10	4.4676	3.4636	2.4428	3.5010	2.4336	1.4500	1.0904	1.0889	1.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.433	H1	C2	N4	124.016
C2	N3	N6	101.435	C2	N4	N5	105.986
N3	C2	N4	112.551	N3	N6	N5	113.781
N3	N6	C10	123.530	N4	N5	N6	106.246
N5	N6	C10	122.689	N6	C10	H7	109.355
N6	C10	H8	107.314	N6	C10	H9	109.381
H7	C10	H8	110.409	H7	C10	H9	109.926
H8	C10	H9	110.407

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.182
2	C	-0.035
3	N	-0.226
4	N	-0.321
5	N	0.026
6	N	0.200
7	H	0.188
8	H	0.199
9	H	0.188
10	C	-0.401

	x	y	z	Total
	-2.599	-1.550	0.000	3.026
CHELPG
AIM
ESP

	x	y	z
x	9.128	0.030	0.000
y	0.030	7.483	0.000
z	0.000	0.000	4.944

<r²>	123.683
(<r²>)^1/2	11.121

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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