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	hartrees
Energy at 0K	-312.959594
Energy at 298.15K	-312.967014
HF Energy	-311.853872
Nuclear repulsion energy	230.880953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3507	92.21
2	A	3700	3504	32.40
3	A	3598	3407	27.39
4	A	1734	1642	118.79
5	A	1647	1560	139.36
6	A	1530	1449	27.10
7	A	1403	1328	0.68
8	A	1220	1155	10.06
9	A	1179	1117	17.62
10	A	1145	1085	6.63
11	A	1126	1067	14.95
12	A	1082	1025	18.91
13	A	1021	967	0.33
14	A	835	791	230.81
15	A	737	698	5.83
16	A	722	684	3.24
17	A	703	666	103.17
18	A	580	549	70.17
19	A	389	369	14.20
20	A	306	290	1.80
21	A	229	217	57.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.622	-0.045	0.001
H2	0.002	2.007	-0.077
N3	0.205	1.022	-0.013
N4	1.482	0.593	0.003
N5	1.413	-0.715	0.010
N6	0.122	-1.137	0.017
H7	-2.425	0.615	0.619
H8	-2.397	-0.899	-0.070
N9	-2.000	0.030	-0.086

	C1	H2	N3	N4	N5	N6	H7	H8	N9
C1		2.1458	1.3494	2.1980	2.1416	1.3217	2.0170	1.9711	1.3830
H2	2.1458		1.0079	2.0483	3.0668	3.1481	2.8828	3.7680	2.8136
N3	1.3494	1.0079		1.3471	2.1153	2.1610	2.7350	3.2343	2.4187
N4	2.1980	2.0483	1.3471		1.3098	2.2009	3.9548	4.1562	3.5281
N5	2.1416	3.0668	2.1153	1.3098		1.3580	4.1064	3.8144	3.4940
N6	1.3217	3.1481	2.1610	2.2009	1.3580		3.1493	2.5313	2.4239
H7	2.0170	2.8828	2.7350	3.9548	4.1064	3.1493		1.6634	1.0099
H8	1.9711	3.7680	3.2343	4.1562	3.8144	2.5313	1.6634		1.0102
N9	1.3830	2.8136	2.4187	3.5281	3.4940	2.4239	1.0099	1.0102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H2	130.538	C1	N3	N4	109.206
C1	N6	N5	106.102	C1	N9	H7	113.993
C1	N9	H8	109.925	H2	N3	N4	120.179
N3	C1	N6	107.996	N3	C1	N9	124.546
N3	N4	N5	105.525	N4	N5	N6	111.164
N6	C1	N9	127.303	H7	N9	H8	110.856

All results from a given calculation for CH₃N₅ (5-Aminotetrazole)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3N5 (5-Aminotetrazole)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for CH₃N₅ (5-Aminotetrazole)