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	hartrees
Energy at 0K	-206.582263
Energy at 298.15K	-206.592303
HF Energy	-206.582263
Nuclear repulsion energy	137.385546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3516	3393	1.56
2	A	3428	3308	5.89
3	A	3035	2929	36.46
4	A	1646	1588	41.89
5	A	1358	1310	1.17
6	A	940	907	9.42
7	A	857	827	0.36
8	A	543	524	18.96
9	A	297	287	60.59
10	E	3516	3393	0.55
10	E	3516	3393	0.55
11	E	3432	3312	1.42
11	E	3432	3312	1.42
12	E	1657	1599	17.13
12	E	1657	1599	17.13
13	E	1413	1364	22.89
13	E	1413	1364	22.89
14	E	1214	1172	49.85
14	E	1214	1172	49.83
15	E	1037	1001	41.03
15	E	1037	1001	41.04
16	E	909	877	210.57
16	E	909	877	210.56
17	E	426	411	33.47
17	E	426	411	33.46
18	E	268	258	18.33
18	E	268	258	18.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.466
N3	0.000	1.401	-0.054
N4	1.214	-0.701	-0.054
N5	-1.214	-0.701	-0.054
H6	0.889	1.820	0.221
H7	1.132	-1.680	0.221
H8	-2.020	-0.140	0.221
H9	-0.017	1.434	-1.074
H10	1.250	-0.702	-1.074
H11	-1.233	-0.732	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0967	1.4637	1.4637	1.4637	2.0306	2.0306	2.0306	2.0347	2.0347	2.0347
H2	1.0967		2.0671	2.0671	2.0671	2.3771	2.3771	2.3771	2.9169	2.9169	2.9169
N3	1.4637	2.0671		2.4271	2.4271	1.0201	3.2936	2.5560	1.0210	2.6514	2.6669
N4	1.4637	2.0671	2.4271		2.4271	2.5560	1.0201	3.2936	2.6669	1.0210	2.6514
N5	1.4637	2.0671	2.4271	2.4271		3.2936	2.5560	1.0201	2.6514	2.6669	1.0210
H6	2.0306	2.3771	1.0201	2.5560	3.2936		3.5077	3.5077	1.6269	2.8582	3.5625
H7	2.0306	2.3771	3.2936	1.0201	2.5560	3.5077		3.5077	3.5625	1.6269	2.8582
H8	2.0306	2.3771	2.5560	3.2936	1.0201	3.5077	3.5077		2.8582	3.5625	1.6269
H9	2.0347	2.9169	1.0210	2.6669	2.6514	1.6269	3.5625	2.8582		2.4841	2.4841
H10	2.0347	2.9169	2.6514	1.0210	2.6669	2.8582	1.6269	3.5625	2.4841		2.4841
H11	2.0347	2.9169	2.6669	2.6514	1.0210	3.5625	2.8582	1.6269	2.4841	2.4841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.352	C1	N3	H9	108.631
C1	N4	H7	108.352	C1	N4	H10	108.631
C1	N5	H8	108.352	C1	N5	H11	108.631
H2	C1	N3	106.792	H2	C1	N4	106.792
H2	C1	N5	106.792	N3	C1	N4	112.012
N3	C1	N5	112.012	N4	C1	N5	112.012
H6	N3	H9	105.699	H7	N4	H10	105.699
H8	N5	H11	105.699

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: TPSSh/6-31G(2df,p)

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	0.081
2	H	0.126
3	N	-0.543
4	N	-0.543
5	N	-0.543
6	H	0.249
7	H	0.249
8	H	0.249
9	H	0.225
10	H	0.225
11	H	0.225

<r²>	82.146
(<r²>)^1/2	9.063

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)