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	hartrees
Energy at 0K	-206.192118
Energy at 298.15K	-206.202192
HF Energy	-205.369811
Nuclear repulsion energy	138.224793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3608	3433	3.19
2	A	3504	3334	0.95
3	A	3109	2959	23.84
4	A	1639	1559	50.40
5	A	1357	1291	1.68
6	A	937	891	16.96
7	A	862	820	2.31
8	A	557	530	14.86
9	A	305	291	61.10
10	E	3609	3434	2.53
10	E	3609	3434	2.53
11	E	3510	3340	1.18
11	E	3510	3340	1.18
12	E	1648	1568	25.42
12	E	1648	1568	25.42
13	E	1426	1356	21.14
13	E	1426	1356	21.14
14	E	1233	1173	51.67
14	E	1233	1173	51.67
15	E	1058	1006	37.33
15	E	1058	1006	37.33
16	E	896	853	215.27
16	E	896	853	215.27
17	E	445	423	39.85
17	E	445	423	39.85
18	E	257	244	20.36
18	E	257	244	20.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.456
N3	0.000	1.390	-0.056
N4	1.204	-0.695	-0.056
N5	-1.204	-0.695	-0.056
H6	0.864	1.831	0.237
H7	1.154	-1.663	0.237
H8	-2.018	-0.168	0.237
H9	-0.031	1.440	-1.067
H10	1.263	-0.694	-1.067
H11	-1.232	-0.747	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0896	1.4528	1.4528	1.4528	2.0288	2.0288	2.0288	2.0328	2.0328	2.0328
H2	1.0896		2.0538	2.0538	2.0538	2.3634	2.3634	2.3634	2.9059	2.9059	2.9059
N3	1.4528	2.0538		2.4077	2.4077	1.0128	3.2775	2.5658	1.0135	2.6383	2.6660
N4	1.4528	2.0538	2.4077		2.4077	2.5658	1.0128	3.2775	2.6660	1.0135	2.6383
N5	1.4528	2.0538	2.4077	2.4077		3.2775	2.5658	1.0128	2.6383	2.6660	1.0135
H6	2.0288	2.3634	1.0128	2.5658	3.2775		3.5068	3.5068	1.6289	2.8699	3.5691
H7	2.0288	2.3634	3.2775	1.0128	2.5658	3.5068		3.5068	3.5691	1.6289	2.8699
H8	2.0288	2.3634	2.5658	3.2775	1.0128	3.5068	3.5068		2.8699	3.5691	1.6289
H9	2.0328	2.9059	1.0135	2.6660	2.6383	1.6289	3.5691	2.8699		2.4955	2.4955
H10	2.0328	2.9059	2.6383	1.0135	2.6660	2.8699	1.6289	3.5691	2.4955		2.4955
H11	2.0328	2.9059	2.6660	2.6383	1.0135	3.5691	2.8699	1.6289	2.4955	2.4955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.438	C1	N3	H9	109.735
C1	N4	H7	109.438	C1	N4	H10	109.735
C1	N5	H8	109.438	C1	N5	H11	109.735
H2	C1	N3	106.897	H2	C1	N4	106.897
H2	C1	N5	106.897	N3	C1	N4	111.918
N3	C1	N5	111.918	N4	C1	N5	111.918
H6	N3	H9	107.002	H7	N4	H10	107.002
H8	N5	H11	107.002

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)