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	hartrees
Energy at 0K	-205.407121
Energy at 298.15K	-205.417058
HF Energy	-205.407121
Nuclear repulsion energy	135.994198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3461	3339	5.97
2	A	3354	3236	13.17
3	A	3080	2972	34.39
4	A	1704	1644	43.56
5	A	1365	1317	1.57
6	A	900	869	17.77
7	A	767	741	6.39
8	A	542	523	26.63
9	A	312	301	72.79
10	E	3460	3338	1.79
10	E	3460	3338	1.79
11	E	3357	3239	4.90
11	E	3357	3239	4.90
12	E	1708	1648	14.12
12	E	1708	1648	14.12
13	E	1420	1370	16.96
13	E	1420	1370	16.96
14	E	1217	1174	36.43
14	E	1217	1174	36.42
15	E	1027	991	42.29
15	E	1027	991	42.29
16	E	763	736	318.74
16	E	763	736	318.74
17	E	420	405	56.08
17	E	420	405	56.08
18	E	274	264	31.81
18	E	274	264	31.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
H2	0.000	0.000	1.468
N3	0.000	1.411	-0.059
N4	1.222	-0.706	-0.059
N5	-1.222	-0.706	-0.059
H6	0.856	1.883	0.257
H7	1.203	-1.683	0.257
H8	-2.059	-0.201	0.257
H9	-0.066	1.479	-1.083
H10	1.314	-0.683	-1.083
H11	-1.248	-0.797	-1.083

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0935	1.4764	1.4764	1.4764	2.0719	2.0719	2.0719	2.0779	2.0779	2.0779
H2	1.0935		2.0793	2.0793	2.0793	2.3973	2.3973	2.3973	2.9499	2.9499	2.9499
N3	1.4764	2.0793		2.4444	2.4444	1.0268	3.3345	2.6337	1.0287	2.6758	2.7352
N4	1.4764	2.0793	2.4444		2.4444	2.6337	1.0268	3.3345	2.7352	1.0287	2.6758
N5	1.4764	2.0793	2.4444	2.4444		3.3345	2.6337	1.0268	2.6758	2.7352	1.0287
H6	2.0719	2.3973	1.0268	2.6337	3.3345		3.5828	3.5828	1.6755	2.9307	3.6609
H7	2.0719	2.3973	3.3345	1.0268	2.6337	3.5828		3.5828	3.6609	1.6755	2.9307
H8	2.0719	2.3973	2.6337	3.3345	1.0268	3.5828	3.5828		2.9307	3.6609	1.6755
H9	2.0779	2.9499	1.0287	2.7352	2.6758	1.6755	3.6609	2.9307		2.5645	2.5645
H10	2.0779	2.9499	2.6758	1.0287	2.7352	2.9307	1.6755	3.6609	2.5645		2.5645
H11	2.0779	2.9499	2.7352	2.6758	1.0287	3.6609	2.9307	1.6755	2.5645	2.5645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.442	C1	N3	H9	110.824
C1	N4	H7	110.442	C1	N4	H10	110.824
C1	N5	H8	110.442	C1	N5	H11	110.824
H2	C1	N3	107.076	H2	C1	N4	107.076
H2	C1	N5	107.076	N3	C1	N4	111.756
N3	C1	N5	111.756	N4	C1	N5	111.756
H6	N3	H9	109.197	H7	N4	H10	109.197
H8	N5	H11	109.197

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYP/3-21G

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	C	0.204
2	H	0.225
3	N	-0.652
4	N	-0.652
5	N	-0.652
6	H	0.268
7	H	0.268
8	H	0.268
9	H	0.241
10	H	0.241
11	H	0.241

<r²>	83.669
(<r²>)^1/2	9.147

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)