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	hartrees
Energy at 0K	-206.185233
Energy at 298.15K
HF Energy	-206.043217
Nuclear repulsion energy	136.657973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3649	0.00
2	A	3519	3519	2.71
3	A	3100	3100	47.28
4	A	1709	1709	53.83
5	A	1355	1355	9.29
6	A	910	910	16.49
7	A	723	723	74.63
8	A	551	551	2.76
9	A	325	325	53.96
10	E	3650	3650	0.08
10	E	3650	3650	0.08
11	E	3523	3523	0.67
11	E	3523	3523	0.67
12	E	1712	1712	27.38
12	E	1712	1712	27.38
13	E	1447	1447	25.80
13	E	1447	1447	25.80
14	E	1237	1237	70.01
14	E	1237	1237	70.01
15	E	1036	1036	42.55
15	E	1036	1036	42.55
16	E	717	717	351.63
16	E	717	717	351.63
17	E	437	437	70.36
17	E	437	437	70.35
18	E	246	246	36.79
18	E	246	246	36.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.465
N3	0.000	1.400	-0.061
N4	1.213	-0.700	-0.061
N5	-1.213	-0.700	-0.061
H6	0.815	1.921	0.246
H7	1.256	-1.666	0.246
H8	-2.071	-0.255	0.246
H9	-0.187	1.524	-1.051
H10	1.414	-0.600	-1.051
H11	-1.226	-0.925	-1.051

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0935	1.4655	1.4655	1.4655	2.0905	2.0905	2.0905	2.0935	2.0935	2.0935
H2	1.0935		2.0709	2.0709	2.0709	2.4167	2.4167	2.4167	2.9478	2.9478	2.9478
N3	1.4655	2.0709		2.4253	2.4253	1.0145	3.3279	2.6689	1.0155	2.6419	2.8088
N4	1.4655	2.0709	2.4253		2.4253	2.6689	1.0145	3.3279	2.8088	1.0155	2.6419
N5	1.4655	2.0709	2.4253	2.4253		3.3279	2.6689	1.0145	2.6419	2.8088	1.0155
H6	2.0905	2.4167	1.0145	2.6689	3.3279		3.6142	3.6142	1.6864	2.8975	3.7344
H7	2.0905	2.4167	3.3279	1.0145	2.6689	3.6142		3.6142	3.7344	1.6864	2.8975
H8	2.0905	2.4167	2.6689	3.3279	1.0145	3.6142	3.6142		2.8975	3.7344	1.6864
H9	2.0935	2.9478	1.0155	2.8088	2.6419	1.6864	3.7344	2.8975		2.6601	2.6601
H10	2.0935	2.9478	2.6419	1.0155	2.8088	2.8975	1.6864	3.7344	2.6601		2.6601
H11	2.0935	2.9478	2.8088	2.6419	1.0155	3.7344	2.8975	1.6864	2.6601	2.6601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.661	C1	N3	H9	113.858
C1	N4	H7	113.661	C1	N4	H10	113.858
C1	N5	H8	113.661	C1	N5	H11	113.858
H2	C1	N3	107.158	H2	C1	N4	107.158
H2	C1	N5	107.158	N3	C1	N4	111.682
N3	C1	N5	111.682	N4	C1	N5	111.682
H6	N3	H9	112.355	H7	N4	H10	112.355
H8	N5	H11	112.355

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)