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	hartrees
Energy at 0K	-206.015413
Energy at 298.15K	-206.025681
HF Energy	-205.317106
Nuclear repulsion energy	137.696510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3581	3428	1.17
2	A	3488	3340	9.46
3	A	3075	2944	35.62
4	A	1727	1653	65.68
5	A	1411	1351	1.18
6	A	996	953	14.34
7	A	902	863	0.99
8	A	565	541	23.47
9	A	319	305	75.70
10	E	3581	3428	0.14
10	E	3581	3428	0.14
11	E	3490	3341	0.61
11	E	3490	3341	0.61
12	E	1738	1664	32.30
12	E	1738	1664	32.30
13	E	1454	1392	27.74
13	E	1454	1392	27.74
14	E	1264	1211	57.76
14	E	1264	1211	57.76
15	E	1086	1040	51.36
15	E	1086	1040	51.36
16	E	968	927	231.62
16	E	968	927	231.62
17	E	451	432	40.37
17	E	451	432	40.37
18	E	294	281	23.49
18	E	294	281	23.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.466
N3	0.000	1.397	-0.055
N4	1.210	-0.699	-0.055
N5	-1.210	-0.699	-0.055
H6	0.877	1.822	0.232
H7	1.139	-1.671	0.232
H8	-2.017	-0.151	0.232
H9	-0.032	1.438	-1.072
H10	1.261	-0.691	-1.072
H11	-1.229	-0.746	-1.072

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0974	1.4598	1.4598	1.4598	2.0269	2.0269	2.0269	2.0351	2.0351	2.0351
H2	1.0974		2.0653	2.0653	2.0653	2.3691	2.3691	2.3691	2.9167	2.9167	2.9167
N3	1.4598	2.0653		2.4197	2.4197	1.0161	3.2851	2.5587	1.0178	2.6428	2.6717
N4	1.4598	2.0653	2.4197		2.4197	2.5587	1.0161	3.2851	2.6717	1.0178	2.6428
N5	1.4598	2.0653	2.4197	2.4197		3.2851	2.5587	1.0161	2.6428	2.6717	1.0178
H6	2.0269	2.3691	1.0161	2.5587	3.2851		3.5027	3.5027	1.6350	2.8573	3.5683
H7	2.0269	2.3691	3.2851	1.0161	2.5587	3.5027		3.5027	3.5683	1.6350	2.8573
H8	2.0269	2.3691	2.5587	3.2851	1.0161	3.5027	3.5027		2.8573	3.5683	1.6350
H9	2.0351	2.9167	1.0178	2.6717	2.6428	1.6350	3.5683	2.8573		2.4907	2.4907
H10	2.0351	2.9167	2.6428	1.0178	2.6717	2.8573	1.6350	3.5683	2.4907		2.4907
H11	2.0351	2.9167	2.6717	2.6428	1.0178	3.5683	2.8573	1.6350	2.4907	2.4907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.566	C1	N3	H9	109.147
C1	N4	H7	108.566	C1	N4	H10	109.147
C1	N5	H8	108.566	C1	N5	H11	109.147
H2	C1	N3	106.869	H2	C1	N4	106.869
H2	C1	N5	106.869	N3	C1	N4	111.943
N3	C1	N5	111.943	N4	C1	N5	111.943
H6	N3	H9	106.997	H7	N4	H10	106.997
H8	N5	H11	106.997

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)