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	hartrees
Energy at 0K	-206.061011
Energy at 298.15K	-206.071106
HF Energy	-205.317587
Nuclear repulsion energy	137.222601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3594	0.94
2	A	3500	3500	2.91
3	A	3103	3103	26.22
4	A	1648	1648	46.36
5	A	1362	1362	1.23
6	A	939	939	17.47
7	A	872	872	0.95
8	A	551	551	13.55
9	A	293	293	63.77
10	E	3595	3595	1.05
10	E	3595	3595	1.05
11	E	3503	3503	1.46
11	E	3503	3503	1.46
12	E	1659	1659	28.38
12	E	1659	1659	28.38
13	E	1428	1428	22.75
13	E	1428	1428	22.75
14	E	1235	1235	53.38
14	E	1235	1235	53.38
15	E	1066	1066	36.89
15	E	1066	1066	36.89
16	E	912	912	182.88
16	E	912	912	182.88
17	E	443	443	37.60
17	E	443	443	37.60
18	E	261	261	19.04
18	E	261	261	19.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.473
N3	0.000	1.401	-0.055
N4	1.213	-0.701	-0.055
N5	-1.213	-0.701	-0.055
H6	0.881	1.832	0.225
H7	1.146	-1.679	0.225
H8	-2.027	-0.153	0.225
H9	-0.030	1.445	-1.075
H10	1.266	-0.696	-1.075
H11	-1.236	-0.748	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1010	1.4646	1.4646	1.4646	2.0382	2.0382	2.0382	2.0446	2.0446	2.0446
H2	1.1010		2.0728	2.0728	2.0728	2.3851	2.3851	2.3851	2.9288	2.9288	2.9288
N3	1.4646	2.0728		2.4267	2.4267	1.0198	3.2983	2.5699	1.0213	2.6537	2.6811
N4	1.4646	2.0728	2.4267		2.4267	2.5699	1.0198	3.2983	2.6811	1.0213	2.6537
N5	1.4646	2.0728	2.4267	2.4267		3.2983	2.5699	1.0198	2.6537	2.6811	1.0213
H6	2.0382	2.3851	1.0198	2.5699	3.2983		3.5211	3.5211	1.6340	2.8692	3.5820
H7	2.0382	2.3851	3.2983	1.0198	2.5699	3.5211		3.5211	3.5820	1.6340	2.8692
H8	2.0382	2.3851	2.5699	3.2983	1.0198	3.5211	3.5211		2.8692	3.5820	1.6340
H9	2.0446	2.9288	1.0213	2.6811	2.6537	1.6340	3.5820	2.8692		2.5028	2.5028
H10	2.0446	2.9288	2.6537	1.0213	2.6811	2.8692	1.6340	3.5820	2.5028		2.5028
H11	2.0446	2.9288	2.6811	2.6537	1.0213	3.5820	2.8692	1.6340	2.5028	2.5028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.931	C1	N3	H9	109.373
C1	N4	H7	108.931	C1	N4	H10	109.373
C1	N5	H8	108.931	C1	N5	H11	109.373
H2	C1	N3	106.934	H2	C1	N4	106.934
H2	C1	N5	106.934	N3	C1	N4	111.885
N3	C1	N5	111.885	N4	C1	N5	111.885
H6	N3	H9	106.368	H7	N4	H10	106.368
H8	N5	H11	106.368

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)