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	hartrees
Energy at 0K	-206.323454
Energy at 298.15K	-206.333451
HF Energy	-206.323454
Nuclear repulsion energy	136.974034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3453	3417	1.28
2	A	3361	3326	6.80
3	A	2949	2918	32.95
4	A	1589	1572	43.00
5	A	1323	1309	0.77
6	A	921	911	8.19
7	A	839	830	0.08
8	A	544	538	17.24
9	A	299	296	56.08
10	E	3453	3418	0.72
10	E	3453	3418	0.72
11	E	3365	3331	2.07
11	E	3365	3331	2.07
12	E	1601	1584	16.77
12	E	1601	1584	16.77
13	E	1365	1351	21.30
13	E	1365	1351	21.30
14	E	1190	1178	41.90
14	E	1190	1178	41.90
15	E	1018	1007	34.41
15	E	1018	1007	34.42
16	E	882	873	213.21
16	E	882	873	213.21
17	E	424	419	31.43
17	E	424	419	31.44
18	E	268	265	18.42
18	E	268	265	18.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.476
N3	0.000	1.405	-0.052
N4	1.217	-0.703	-0.052
N5	-1.217	-0.703	-0.052
H6	0.903	1.816	0.213
H7	1.121	-1.690	0.213
H8	-2.024	-0.126	0.213
H9	-0.023	1.433	-1.079
H10	1.253	-0.697	-1.079
H11	-1.230	-0.736	-1.079

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1077	1.4665	1.4665	1.4665	2.0343	2.0343	2.0343	2.0369	2.0369	2.0369
H2	1.1077		2.0754	2.0754	2.0754	2.3894	2.3894	2.3894	2.9294	2.9294	2.9294
N3	1.4665	2.0754		2.4338	2.4338	1.0269	3.3028	2.5520	1.0279	2.6540	2.6747
N4	1.4665	2.0754	2.4338		2.4338	2.5520	1.0269	3.3028	2.6747	1.0279	2.6540
N5	1.4665	2.0754	2.4338	2.4338		3.3028	2.5520	1.0269	2.6540	2.6747	1.0279
H6	2.0343	2.3894	1.0269	2.5520	3.3028		3.5132	3.5132	1.6347	2.8474	3.5685
H7	2.0343	2.3894	3.3028	1.0269	2.5520	3.5132		3.5132	3.5685	1.6347	2.8474
H8	2.0343	2.3894	2.5520	3.3028	1.0269	3.5132	3.5132		2.8474	3.5685	1.6347
H9	2.0369	2.9294	1.0279	2.6747	2.6540	1.6347	3.5685	2.8474		2.4831	2.4831
H10	2.0369	2.9294	2.6540	1.0279	2.6747	2.8474	1.6347	3.5685	2.4831		2.4831
H11	2.0369	2.9294	2.6747	2.6540	1.0279	3.5685	2.8474	1.6347	2.4831	2.4831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.051	C1	N3	H9	108.202
C1	N4	H7	108.051	C1	N4	H10	108.202
C1	N5	H8	108.051	C1	N5	H11	108.202
H2	C1	N3	106.630	H2	C1	N4	106.630
H2	C1	N5	106.630	N3	C1	N4	112.157
N3	C1	N5	112.157	N4	C1	N5	112.157
H6	N3	H9	105.411	H7	N4	H10	105.411
H8	N5	H11	105.411

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: PBEPBE/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	0.044
2	H	0.107
3	N	-0.492
4	N	-0.492
5	N	-0.492
6	H	0.233
7	H	0.233
8	H	0.233
9	H	0.208
10	H	0.208
11	H	0.208

<r²>	82.541
(<r²>)^1/2	9.085

All results from a given calculation for CH7N3 (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)