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	hartrees
Energy at 0K	-206.269845
Energy at 298.15K	-206.279925
HF Energy	-205.361307
Nuclear repulsion energy	138.450083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3418	7.18
2	A	3518	3317	0.64
3	A	3111	2932	19.56
4	A	1639	1545	54.66
5	A	1352	1275	1.75
6	A	932	879	15.20
7	A	850	801	9.52
8	A	559	527	11.24
9	A	309	292	57.81
10	E	3627	3419	3.94
10	E	3627	3419	3.94
11	E	3524	3322	1.35
11	E	3524	3322	1.35
12	E	1649	1555	30.73
12	E	1649	1555	30.73
13	E	1429	1347	20.48
13	E	1429	1347	20.48
14	E	1234	1163	56.33
14	E	1234	1163	56.33
15	E	1059	998	37.88
15	E	1059	998	37.88
16	E	878	827	205.78
16	E	878	827	205.78
17	E	447	421	42.04
17	E	447	421	42.04
18	E	257	242	20.64
18	E	257	242	20.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.461
N3	0.000	1.386	-0.054
N4	1.200	-0.693	-0.054
N5	-1.200	-0.693	-0.054
H6	0.873	1.828	0.211
H7	1.146	-1.670	0.211
H8	-2.019	-0.158	0.211
H9	-0.071	1.439	-1.064
H10	1.281	-0.658	-1.064
H11	-1.211	-0.781	-1.064

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0898	1.4496	1.4496	1.4496	2.0317	2.0317	2.0317	2.0337	2.0337	2.0337
H2	1.0898		2.0533	2.0533	2.0533	2.3804	2.3804	2.3804	2.9073	2.9073	2.9073
N3	1.4496	2.0533		2.4002	2.4002	1.0133	3.2741	2.5554	1.0139	2.6154	2.6795
N4	1.4496	2.0533	2.4002		2.4002	2.5554	1.0133	3.2741	2.6795	1.0139	2.6154
N5	1.4496	2.0533	2.4002	2.4002		3.2741	2.5554	1.0133	2.6154	2.6795	1.0139
H6	2.0317	2.3804	1.0133	2.5554	3.2741		3.5080	3.5080	1.6326	2.8233	3.5733
H7	2.0317	2.3804	3.2741	1.0133	2.5554	3.5080		3.5080	3.5733	1.6326	2.8233
H8	2.0317	2.3804	2.5554	3.2741	1.0133	3.5080	3.5080		2.8233	3.5733	1.6326
H9	2.0337	2.9073	1.0139	2.6795	2.6154	1.6326	3.5733	2.8233		2.4953	2.4953
H10	2.0337	2.9073	2.6154	1.0139	2.6795	2.8233	1.6326	3.5733	2.4953		2.4953
H11	2.0337	2.9073	2.6795	2.6154	1.0139	3.5733	2.8233	1.6326	2.4953	2.4953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.897	C1	N3	H9	110.028
C1	N4	H7	109.897	C1	N4	H10	110.028
C1	N5	H8	109.897	C1	N5	H11	110.028
H2	C1	N3	107.066	H2	C1	N4	107.066
H2	C1	N5	107.066	N3	C1	N4	111.766
N3	C1	N5	111.766	N4	C1	N5	111.766
H6	N3	H9	107.282	H7	N4	H10	107.282
H8	N5	H11	107.282

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)