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	hartrees
Energy at 0K	-206.277473
Energy at 298.15K	-206.287577
HF Energy	-205.366101
Nuclear repulsion energy	138.599708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3604	3429	6.06
2	A	3508	3338	1.06
3	A	3111	2960	19.75
4	A	1642	1563	52.09
5	A	1359	1293	1.45
6	A	933	888	17.33
7	A	855	814	6.73
8	A	554	527	11.51
9	A	304	289	57.07
10	E	3605	3430	3.73
10	E	3605	3430	3.73
11	E	3513	3342	1.25
11	E	3513	3342	1.25
12	E	1650	1570	28.28
12	E	1650	1570	28.28
13	E	1430	1360	20.72
13	E	1430	1360	20.72
14	E	1236	1176	52.30
14	E	1236	1176	52.30
15	E	1060	1008	38.73
15	E	1060	1008	38.73
16	E	886	843	199.31
16	E	886	843	199.31
17	E	449	427	39.31
17	E	449	427	39.31
18	E	263	250	21.28
18	E	263	250	21.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.373
H2	0.000	0.000	1.461
N3	0.000	1.385	-0.053
N4	1.199	-0.693	-0.053
N5	-1.199	-0.693	-0.053
H6	0.879	1.817	0.202
H7	1.134	-1.670	0.202
H8	-2.014	-0.147	0.202
H9	-0.072	1.428	-1.063
H10	1.273	-0.652	-1.063
H11	-1.201	-0.777	-1.063

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0883	1.4492	1.4492	1.4492	2.0261	2.0261	2.0261	2.0269	2.0269	2.0269
H2	1.0883		2.0524	2.0524	2.0524	2.3794	2.3794	2.3794	2.9015	2.9015	2.9015
N3	1.4492	2.0524		2.3989	2.3989	1.0127	3.2690	2.5430	1.0134	2.6057	2.6712
N4	1.4492	2.0524	2.3989		2.3989	2.5430	1.0127	3.2690	2.6712	1.0134	2.6057
N5	1.4492	2.0524	2.3989	2.3989		3.2690	2.5430	1.0127	2.6057	2.6712	1.0134
H6	2.0261	2.3794	1.0127	2.5430	3.2690		3.4968	3.4968	1.6301	2.8022	3.5578
H7	2.0261	2.3794	3.2690	1.0127	2.5430	3.4968		3.4968	3.5578	1.6301	2.8022
H8	2.0261	2.3794	2.5430	3.2690	1.0127	3.4968	3.4968		2.8022	3.5578	1.6301
H9	2.0269	2.9015	1.0134	2.6712	2.6057	1.6301	3.5578	2.8022		2.4773	2.4773
H10	2.0269	2.9015	2.6057	1.0134	2.6712	2.8022	1.6301	3.5578	2.4773		2.4773
H11	2.0269	2.9015	2.6712	2.6057	1.0134	3.5578	2.8022	1.6301	2.4773	2.4773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.498	C1	N3	H9	109.520
C1	N4	H7	109.498	C1	N4	H10	109.520
C1	N5	H8	109.499	C1	N5	H11	109.520
H2	C1	N3	107.109	H2	C1	N4	107.109
H2	C1	N5	107.109	N3	C1	N4	111.727
N3	C1	N5	111.727	N4	C1	N5	111.727
H6	N3	H9	107.141	H7	N4	H10	107.141
H8	N5	H11	107.141

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)