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	hartrees
Energy at 0K	-206.183789
Energy at 298.15K	-206.193656
HF Energy	-206.043213
Nuclear repulsion energy	136.651767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3649	0.00
2	A	3519	3519	2.75
3	A	3101	3101	47.22
4	A	1710	1710	53.87
5	A	1355	1355	9.28
6	A	910	910	16.67
7	A	725	725	74.34
8	A	550	550	2.67
9	A	326	326	54.03
10	E	3649	3649	0.08
10	E	3649	3649	0.08
11	E	3523	3523	0.68
11	E	3523	3523	0.68
12	E	1713	1713	27.36
12	E	1713	1713	27.36
13	E	1447	1447	25.79
13	E	1447	1447	25.79
14	E	1237	1237	69.97
14	E	1237	1237	69.96
15	E	1036	1036	42.39
15	E	1036	1036	42.40
16	E	718	718	351.65
16	E	718	718	351.65
17	E	437	437	70.72
17	E	437	437	70.73
18	E	248	248	36.18
18	E	248	248	36.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.465
N3	0.000	1.400	-0.061
N4	1.213	-0.700	-0.061
N5	-1.213	-0.700	-0.061
H6	0.815	1.921	0.246
H7	1.256	-1.666	0.246
H8	-2.071	-0.255	0.246
H9	-0.187	1.524	-1.051
H10	1.413	-0.600	-1.051
H11	-1.226	-0.924	-1.051

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0935	1.4656	1.4656	1.4656	2.0905	2.0905	2.0905	2.0933	2.0933	2.0933
H2	1.0935		2.0710	2.0710	2.0710	2.4168	2.4168	2.4168	2.9478	2.9478	2.9478
N3	1.4656	2.0710		2.4255	2.4255	1.0145	3.3281	2.6688	1.0155	2.6421	2.8084
N4	1.4656	2.0710	2.4255		2.4255	2.6688	1.0145	3.3281	2.8084	1.0155	2.6421
N5	1.4656	2.0710	2.4255	2.4255		3.3281	2.6688	1.0145	2.6421	2.8084	1.0155
H6	2.0905	2.4168	1.0145	2.6688	3.3281		3.6142	3.6142	1.6864	2.8976	3.7340
H7	2.0905	2.4168	3.3281	1.0145	2.6688	3.6142		3.6142	3.7340	1.6864	2.8976
H8	2.0905	2.4168	2.6688	3.3281	1.0145	3.6142	3.6142		2.8976	3.7340	1.6864
H9	2.0933	2.9478	1.0155	2.8084	2.6421	1.6864	3.7340	2.8976		2.6595	2.6595
H10	2.0933	2.9478	2.6421	1.0155	2.8084	2.8976	1.6864	3.7340	2.6595		2.6595
H11	2.0933	2.9478	2.8084	2.6421	1.0155	3.7340	2.8976	1.6864	2.6595	2.6595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	113.651	C1	N3	H9	113.834
C1	N4	H7	113.651	C1	N4	H10	113.834
C1	N5	H8	113.651	C1	N5	H11	113.834
H2	C1	N3	107.157	H2	C1	N4	107.157
H2	C1	N5	107.157	N3	C1	N4	111.683
N3	C1	N5	111.683	N4	C1	N5	111.683
H6	N3	H9	112.340	H7	N4	H10	112.340
H8	N5	H11	112.340

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.225
2	H	0.164
3	N	-0.688
4	N	-0.688
5	N	-0.688
6	H	0.291
7	H	0.291
8	H	0.291
9	H	0.267
10	H	0.267
11	H	0.267

<r²>	83.695
(<r²>)^1/2	9.148

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)