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	hartrees
Energy at 0K	-206.005534
Energy at 298.15K	-206.015818
HF Energy	-205.290371
Nuclear repulsion energy	138.099255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3671	0.35
2	A	3573	3573	4.63
3	A	3162	3162	36.75
4	A	1705	1705	50.43
5	A	1412	1412	1.61
6	A	985	985	11.82
7	A	909	909	0.79
8	A	568	568	24.11
9	A	315	315	81.40
10	E	3671	3671	0.17
10	E	3671	3671	0.17
11	E	3576	3576	0.01
11	E	3576	3576	0.01
12	E	1717	1717	25.33
12	E	1717	1717	25.33
13	E	1475	1475	30.91
13	E	1475	1475	30.91
14	E	1269	1269	62.28
14	E	1269	1269	62.28
15	E	1096	1096	37.32
15	E	1096	1096	37.32
16	E	962	962	224.06
16	E	962	962	224.06
17	E	456	456	40.68
17	E	456	456	40.68
18	E	300	300	20.42
18	E	300	300	20.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.458
N3	0.000	1.393	-0.056
N4	1.207	-0.697	-0.056
N5	-1.207	-0.697	-0.056
H6	0.870	1.819	0.241
H7	1.140	-1.663	0.241
H8	-2.010	-0.156	0.241
H9	0.004	1.427	-1.070
H10	1.234	-0.717	-1.070
H11	-1.238	-0.710	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0898	1.4567	1.4567	1.4567	2.0202	2.0202	2.0202	2.0262	2.0262	2.0262
H2	1.0898		2.0578	2.0578	2.0578	2.3549	2.3549	2.3549	2.9032	2.9032	2.9032
N3	1.4567	2.0578		2.4135	2.4135	1.0129	3.2755	2.5556	1.0146	2.6463	2.6430
N4	1.4567	2.0578	2.4135		2.4135	2.5556	1.0129	3.2755	2.6430	1.0146	2.6463
N5	1.4567	2.0578	2.4135	2.4135		3.2755	2.5556	1.0129	2.6463	2.6430	1.0146
H6	2.0202	2.3549	1.0129	2.5556	3.2755		3.4922	3.4922	1.6198	2.8778	3.5437
H7	2.0202	2.3549	3.2755	1.0129	2.5556	3.4922		3.4922	3.5437	1.6198	2.8778
H8	2.0202	2.3549	2.5556	3.2755	1.0129	3.4922	3.4922		2.8778	3.5437	1.6198
H9	2.0262	2.9032	1.0146	2.6430	2.6463	1.6198	3.5437	2.8778		2.4714	2.4714
H10	2.0262	2.9032	2.6463	1.0146	2.6430	2.8778	1.6198	3.5437	2.4714		2.4714
H11	2.0262	2.9032	2.6430	2.6463	1.0146	3.5437	2.8778	1.6198	2.4714	2.4714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.439	C1	N3	H9	108.830
C1	N4	H7	108.439	C1	N4	H10	108.830
C1	N5	H8	108.439	C1	N5	H11	108.830
H2	C1	N3	106.943	H2	C1	N4	106.943
H2	C1	N5	106.943	N3	C1	N4	111.877
N3	C1	N5	111.877	N4	C1	N5	111.877
H6	N3	H9	106.054	H7	N4	H10	106.054
H8	N5	H11	106.054

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)