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	hartrees
Energy at 0K	-297.530245
Energy at 298.15K	-297.537866
Nuclear repulsion energy	233.308212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3162	1.33
2	A	3206	3073	1.49
3	A	3172	3041	8.65
4	A	3092	2964	18.94
5	A	1538	1474	5.54
6	A	1505	1443	16.06
7	A	1493	1431	12.45
8	A	1455	1395	3.98
9	A	1445	1385	8.64
10	A	1340	1285	16.77
11	A	1331	1276	9.59
12	A	1277	1224	13.81
13	A	1176	1127	10.29
14	A	1155	1107	0.05
15	A	1064	1020	28.18
16	A	1051	1008	13.00
17	A	1034	991	3.76
18	A	889	852	12.42
19	A	731	701	5.12
20	A	730	700	13.40
21	A	703	674	6.51
22	A	372	357	4.88
23	A	240	230	5.27
24	A	88	84	0.00

Atom	x (Å)	y (Å)	z (Å)
H1	2.298	-1.193	-0.000
C2	1.403	-0.594	-0.000
N3	0.187	-1.111	0.000
N4	1.399	0.749	0.001
N5	0.147	1.101	-0.000
N6	-0.550	-0.018	-0.000
H7	-2.354	-0.549	-0.888
H8	-2.326	0.999	-0.003
H9	-2.353	-0.544	0.891
C10	-1.993	-0.034	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0769	2.1128	2.1395	3.1450	3.0805	4.7789	5.1170	4.7802	4.4447
C2	1.0769		1.3212	1.3431	2.1100	2.0357	3.8599	4.0547	3.8608	3.4417
N3	2.1128	1.3212		2.2203	2.2126	1.3180	2.7489	3.2811	2.7510	2.4313
N4	2.1395	1.3431	2.2203		1.3014	2.0947	4.0693	3.7338	4.0680	3.4818
N5	3.1450	2.1100	2.2126	1.3014		1.3182	3.1245	2.4747	3.1228	2.4224
N6	3.0805	2.0357	1.3180	2.0947	1.3182		2.0793	2.0466	2.0795	1.4434
H7	4.7789	3.8599	2.7489	4.0693	3.1245	2.0793		1.7836	1.7790	1.0879
H8	5.1170	4.0547	3.2811	3.7338	2.4747	2.0466	1.7836		1.7836	1.0855
H9	4.7802	3.8608	2.7510	4.0680	3.1228	2.0795	1.7790	1.7836		1.0880
C10	4.4447	3.4417	2.4313	3.4818	2.4224	1.4434	1.0879	1.0855	1.0880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.204	H1	C2	N4	123.908
C2	N3	N6	100.950	C2	N4	N5	105.848
N3	C2	N4	112.888	N3	N6	N5	114.132
N3	N6	C10	123.329	N4	N5	N6	106.182
N5	N6	C10	122.539	N6	C10	H7	109.655
N6	C10	H8	107.205	N6	C10	H9	109.670
H7	C10	H8	110.294	H7	C10	H9	109.691
H8	C10	H9	110.289

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

using model chemistry: B1B95/6-311G*

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	0.237
2	C	0.047
3	N	-0.199
4	N	-0.239
5	N	-0.025
6	N	-0.107
7	H	0.255
8	H	0.254
9	H	0.255
10	C	-0.477

	x	y	z	Total
	-2.483	-1.464	-0.000	2.882
CHELPG
AIM
ESP

	x	y	z
x	8.640	-0.148	-0.000
y	-0.148	6.600	0.000
z	-0.000	0.000	4.026

<r²>	122.661
(<r²>)^1/2	11.075

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

using model chemistry: B1B95/6-311G*

States and conformations

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