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	hartrees
Energy at 0K	-205.921457
Energy at 298.15K	-205.931746
HF Energy	-205.266130
Nuclear repulsion energy	137.669156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3371	0.28
2	A	3495	3280	4.92
3	A	3129	2937	32.48
4	A	1718	1613	56.50
5	A	1418	1331	1.63
6	A	1000	939	10.12
7	A	911	855	1.65
8	A	568	533	24.45
9	A	319	300	89.38
10	E	3592	3371	0.26
10	E	3592	3371	0.26
11	E	3497	3282	0.02
11	E	3497	3282	0.02
12	E	1731	1624	28.33
12	E	1731	1624	28.33
13	E	1471	1381	30.58
13	E	1471	1381	30.58
14	E	1272	1193	65.75
14	E	1272	1193	65.75
15	E	1097	1030	41.11
15	E	1097	1030	41.11
16	E	977	917	230.81
16	E	977	917	230.81
17	E	455	427	40.76
17	E	455	427	40.76
18	E	303	285	22.54
18	E	303	285	22.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.464
N3	0.000	1.396	-0.056
N4	1.209	-0.698	-0.056
N5	-1.209	-0.698	-0.056
H6	0.875	1.824	0.246
H7	1.143	-1.670	0.246
H8	-2.017	-0.155	0.246
H9	0.008	1.431	-1.077
H10	1.235	-0.722	-1.077
H11	-1.243	-0.708	-1.077

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0953	1.4595	1.4595	1.4595	2.0269	2.0269	2.0269	2.0337	2.0337	2.0337
H2	1.0953		2.0641	2.0641	2.0641	2.3614	2.3614	2.3614	2.9158	2.9158	2.9158
N3	1.4595	2.0641		2.4186	2.4186	1.0196	3.2860	2.5626	1.0213	2.6562	2.6489
N4	1.4595	2.0641	2.4186		2.4186	2.5626	1.0196	3.2860	2.6489	1.0213	2.6562
N5	1.4595	2.0641	2.4186	2.4186		3.2860	2.5626	1.0196	2.6562	2.6489	1.0213
H6	2.0269	2.3614	1.0196	2.5626	3.2860		3.5043	3.5043	1.6298	2.8923	3.5566
H7	2.0269	2.3614	3.2860	1.0196	2.5626	3.5043		3.5043	3.5566	1.6298	2.8923
H8	2.0269	2.3614	2.5626	3.2860	1.0196	3.5043	3.5043		2.8923	3.5566	1.6298
H9	2.0337	2.9158	1.0213	2.6489	2.6562	1.6298	3.5566	2.8923		2.4780	2.4780
H10	2.0337	2.9158	2.6562	1.0213	2.6489	2.8923	1.6298	3.5566	2.4780		2.4780
H11	2.0337	2.9158	2.6489	2.6562	1.0213	3.5566	2.8923	1.6298	2.4780	2.4780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.382	C1	N3	H9	108.841
C1	N4	H7	108.382	C1	N4	H10	108.841
C1	N5	H8	108.382	C1	N5	H11	108.841
H2	C1	N3	106.919	H2	C1	N4	106.919
H2	C1	N5	106.919	N3	C1	N4	111.898
N3	C1	N5	111.898	N4	C1	N5	111.898
H6	N3	H9	105.995	H7	N4	H10	105.994
H8	N5	H11	105.995

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)