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	hartrees
Energy at 0K	-206.272842
Energy at 298.15K	-206.283040
HF Energy	-205.361723
Nuclear repulsion energy	138.726411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3397	0.97
2	A	3556	3316	1.56
3	A	3129	2918	27.95
4	A	1672	1560	49.22
5	A	1384	1291	2.15
6	A	951	887	18.04
7	A	885	826	1.34
8	A	565	527	15.80
9	A	307	286	60.67
10	E	3643	3398	1.44
10	E	3643	3398	1.44
11	E	3559	3319	1.25
11	E	3559	3319	1.25
12	E	1683	1569	27.79
12	E	1683	1569	27.79
13	E	1452	1354	23.76
13	E	1452	1354	23.76
14	E	1258	1173	54.79
14	E	1258	1173	54.79
15	E	1081	1008	39.07
15	E	1081	1008	39.07
16	E	924	862	210.99
16	E	924	862	210.99
17	E	454	423	38.18
17	E	454	423	38.18
18	E	275	256	20.71
18	E	275	256	20.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.453
N3	0.000	1.386	-0.054
N4	1.200	-0.693	-0.054
N5	-1.200	-0.693	-0.054
H6	0.874	1.813	0.213
H7	1.133	-1.663	0.213
H8	-2.007	-0.149	0.213
H9	-0.049	1.427	-1.062
H10	1.260	-0.671	-1.062
H11	-1.211	-0.756	-1.062

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0834	1.4495	1.4495	1.4495	2.0186	2.0186	2.0186	2.0217	2.0217	2.0217
H2	1.0834		2.0476	2.0476	2.0476	2.3641	2.3641	2.3641	2.8919	2.8919	2.8919
N3	1.4495	2.0476		2.4010	2.4010	1.0085	3.2641	2.5411	1.0098	2.6146	2.6591
N4	1.4495	2.0476	2.4010		2.4010	2.5411	1.0085	3.2641	2.6591	1.0098	2.6146
N5	1.4495	2.0476	2.4010	2.4010		3.2641	2.5411	1.0085	2.6146	2.6591	1.0098
H6	2.0186	2.3641	1.0085	2.5411	3.2641		3.4857	3.4857	1.6202	2.8183	3.5454
H7	2.0186	2.3641	3.2641	1.0085	2.5411	3.4857		3.4857	3.5454	1.6202	2.8183
H8	2.0186	2.3641	2.5411	3.2641	1.0085	3.4857	3.4857		2.8183	3.5454	1.6202
H9	2.0217	2.8919	1.0098	2.6591	2.6146	1.6202	3.5454	2.8183		2.4728	2.4728
H10	2.0217	2.8919	2.6146	1.0098	2.6591	2.8183	1.6202	3.5454	2.4728		2.4728
H11	2.0217	2.8919	2.6591	2.6146	1.0098	3.5454	2.8183	1.6202	2.4728	2.4728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.102	C1	N3	H9	109.279
C1	N4	H7	109.102	C1	N4	H10	109.279
C1	N5	H8	109.102	C1	N5	H11	109.279
H2	C1	N3	106.994	H2	C1	N4	106.994
H2	C1	N5	106.994	N3	C1	N4	111.831
N3	C1	N5	111.831	N4	C1	N5	111.831
H6	N3	H9	106.784	H7	N4	H10	106.784
H8	N5	H11	106.784

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)