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	hartrees
Energy at 0K	-295.840182
Energy at 298.15K	-295.848043
Nuclear repulsion energy	235.227559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3454	3145	0.80
2	A	3335	3037	2.68
3	A	3300	3005	11.26
4	A	3219	2931	29.17
5	A	1679	1529	13.00
6	A	1611	1467	17.27
7	A	1585	1443	22.72
8	A	1581	1439	10.38
9	A	1560	1420	8.88
10	A	1486	1353	12.87
11	A	1452	1322	26.01
12	A	1401	1275	27.72
13	A	1252	1140	10.50
14	A	1243	1132	0.20
15	A	1164	1060	37.42
16	A	1145	1043	15.60
17	A	1127	1026	8.19
18	A	1014	923	11.62
19	A	794	723	5.60
20	A	768	699	22.47
21	A	759	691	10.06
22	A	404	368	5.98
23	A	250	228	5.33
24	A	87	79	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.299	-1.177	0.000
C2	1.402	-0.589	0.000
N3	0.197	-1.092	-0.000
N4	1.383	0.752	0.000
N5	0.141	1.078	0.000
N6	-0.542	-0.013	-0.000
H7	-2.342	-0.560	-0.886
H8	-2.335	0.988	-0.004
H9	-2.342	-0.553	0.891
C10	-1.991	-0.040	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0728	2.1034	2.1356	3.1216	3.0705	4.7647	5.1145	4.7664	4.4380
C2	1.0728		1.3058	1.3405	2.0902	2.0278	3.8475	4.0557	3.8485	3.4370
N3	2.1034	1.3058		2.1919	2.1711	1.3079	2.7414	3.2766	2.7441	2.4279
N4	2.1356	1.3405	2.1919		1.2838	2.0714	4.0467	3.7248	4.0454	3.4650
N5	3.1216	2.0902	2.1711	1.2838		1.2879	3.1036	2.4775	3.1013	2.4072
N6	3.0705	2.0278	1.3079	2.0714	1.2879		2.0788	2.0529	2.0791	1.4487
H7	4.7647	3.8475	2.7414	4.0467	3.1036	2.0788		1.7813	1.7771	1.0860
H8	5.1145	4.0557	3.2766	3.7248	2.4775	2.0529	1.7813		1.7813	1.0834
H9	4.7664	3.8485	2.7441	4.0454	3.1013	2.0791	1.7771	1.7813		1.0860
C10	4.4380	3.4370	2.4279	3.4650	2.4072	1.4487	1.0860	1.0834	1.0860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	124.038	H1	C2	N4	124.121
C2	N3	N6	101.759	C2	N4	N5	105.573
N3	C2	N4	111.841	N3	N6	N5	113.518
N3	N6	C10	123.387	N4	N5	N6	107.310
N5	N6	C10	123.096	N6	C10	H7	109.368
N6	C10	H8	107.464	N6	C10	H9	109.384
H7	C10	H8	110.391	H7	C10	H9	109.806
H8	C10	H9	110.385

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

using model chemistry: HF/aug-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	-0.150
2	C	1.017
3	N	-0.423
4	N	-0.473
5	N	-0.379
6	N	-0.304
7	H	-0.050
8	H	-0.154
9	H	-0.049
10	C	0.965

	x	y	z	Total
	-2.518	-1.447	0.000	2.904
CHELPG
AIM
ESP

<r²>	121.848
(<r²>)^1/2	11.038

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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