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	hartrees
Energy at 0K	-206.206542
Energy at 298.15K	-206.216655
HF Energy	-205.361330
Nuclear repulsion energy	138.176674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3636	3.20
2	A	3546	3546	0.98
3	A	3111	3111	23.01
4	A	1666	1666	51.13
5	A	1375	1375	2.11
6	A	942	942	17.84
7	A	876	876	3.70
8	A	559	559	13.11
9	A	301	301	61.91
10	E	3637	3637	2.35
10	E	3637	3637	2.35
11	E	3548	3548	1.80
11	E	3548	3548	1.80
12	E	1677	1677	31.37
12	E	1677	1677	31.37
13	E	1447	1447	23.18
13	E	1447	1447	23.18
14	E	1246	1246	55.37
14	E	1246	1246	55.37
15	E	1072	1072	39.64
15	E	1072	1072	39.64
16	E	910	910	195.35
16	E	910	910	195.35
17	E	450	450	39.41
17	E	450	450	39.41
18	E	258	258	20.17
18	E	258	258	20.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.462
N3	0.000	1.390	-0.055
N4	1.204	-0.695	-0.055
N5	-1.204	-0.695	-0.055
H6	0.870	1.828	0.219
H7	1.148	-1.668	0.219
H8	-2.018	-0.160	0.219
H9	-0.051	1.440	-1.065
H10	1.273	-0.676	-1.065
H11	-1.222	-0.765	-1.065

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0900	1.4544	1.4544	1.4544	2.0303	2.0303	2.0303	2.0354	2.0354	2.0354
H2	1.0900		2.0575	2.0575	2.0575	2.3756	2.3756	2.3756	2.9092	2.9092	2.9092
N3	1.4544	2.0575		2.4083	2.4083	1.0119	3.2779	2.5598	1.0130	2.6288	2.6755
N4	1.4544	2.0575	2.4083		2.4083	2.5598	1.0119	3.2779	2.6755	1.0130	2.6288
N5	1.4544	2.0575	2.4083	2.4083		3.2779	2.5598	1.0119	2.6288	2.6755	1.0130
H6	2.0303	2.3756	1.0119	2.5598	3.2779		3.5066	3.5066	1.6276	2.8425	3.5704
H7	2.0303	2.3756	3.2779	1.0119	2.5598	3.5066		3.5066	3.5704	1.6276	2.8425
H8	2.0303	2.3756	2.5598	3.2779	1.0119	3.5066	3.5066		2.8425	3.5704	1.6276
H9	2.0354	2.9092	1.0130	2.6755	2.6288	1.6276	3.5704	2.8425		2.4965	2.4965
H10	2.0354	2.9092	2.6288	1.0130	2.6755	2.8425	1.6276	3.5704	2.4965		2.4965
H11	2.0354	2.9092	2.6755	2.6288	1.0130	3.5704	2.8425	1.6276	2.4965	2.4965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.513	C1	N3	H9	109.864
C1	N4	H7	109.513	C1	N4	H10	109.864
C1	N5	H8	109.513	C1	N5	H11	109.864
H2	C1	N3	107.057	H2	C1	N4	107.057
H2	C1	N5	107.057	N3	C1	N4	111.773
N3	C1	N5	111.773	N4	C1	N5	111.773
H6	N3	H9	106.990	H7	N4	H10	106.990
H8	N5	H11	106.990

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)