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	hartrees
Energy at 0K	-206.567194
Energy at 298.15K	-206.577109
HF Energy	-206.567194
Nuclear repulsion energy	136.319552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3423	3412	1.10
2	A	3338	3328	8.48
3	A	2949	2940	30.66
4	A	1599	1594	44.44
5	A	1313	1309	1.07
6	A	900	897	15.44
7	A	808	805	0.18
8	A	542	541	12.70
9	A	296	295	50.17
10	E	3423	3412	1.33
10	E	3423	3412	1.33
11	E	3342	3332	3.00
11	E	3342	3332	3.00
12	E	1606	1602	18.88
12	E	1606	1602	18.88
13	E	1369	1365	17.35
13	E	1369	1365	17.35
14	E	1172	1169	34.23
14	E	1172	1169	34.24
15	E	988	986	53.23
15	E	988	985	53.25
16	E	847	845	223.58
16	E	847	845	223.59
17	E	423	422	31.40
17	E	423	422	31.40
18	E	250	249	19.47
18	E	250	249	19.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.468
N3	0.000	1.413	-0.053
N4	1.224	-0.707	-0.053
N5	-1.224	-0.707	-0.053
H6	0.888	1.845	0.217
H7	1.154	-1.692	0.217
H8	-2.042	-0.153	0.217
H9	-0.051	1.466	-1.075
H10	1.295	-0.689	-1.075
H11	-1.244	-0.777	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0994	1.4747	1.4747	1.4747	2.0532	2.0532	2.0532	2.0575	2.0575	2.0575
H2	1.0994		2.0759	2.0759	2.0759	2.3994	2.3994	2.3994	2.9352	2.9352	2.9352
N3	1.4747	2.0759		2.4479	2.4479	1.0238	3.3234	2.5877	1.0246	2.6718	2.7183
N4	1.4747	2.0759	2.4479		2.4479	2.5877	1.0238	3.3234	2.7183	1.0246	2.6718
N5	1.4747	2.0759	2.4479	2.4479		3.3234	2.5877	1.0238	2.6718	2.7183	1.0246
H6	2.0532	2.3994	1.0238	2.5877	3.3234		3.5466	3.5466	1.6418	2.8727	3.6179
H7	2.0532	2.3994	3.3234	1.0238	2.5877	3.5466		3.5466	3.6179	1.6418	2.8727
H8	2.0532	2.3994	2.5877	3.3234	1.0238	3.5466	3.5466		2.8727	3.6179	1.6418
H9	2.0575	2.9352	1.0246	2.7183	2.6718	1.6418	3.6179	2.8727		2.5400	2.5400
H10	2.0575	2.9352	2.6718	1.0246	2.7183	2.8727	1.6418	3.6179	2.5400		2.5400
H11	2.0575	2.9352	2.7183	2.6718	1.0246	3.6179	2.8727	1.6418	2.5400	2.5400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.192	C1	N3	H9	109.498
C1	N4	H7	109.192	C1	N4	H10	109.498
C1	N5	H8	109.192	C1	N5	H11	109.498
H2	C1	N3	106.595	H2	C1	N4	106.595
H2	C1	N5	106.595	N3	C1	N4	112.188
N3	C1	N5	112.188	N4	C1	N5	112.188
H6	N3	H9	106.543	H7	N4	H10	106.543
H8	N5	H11	106.543

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: BLYP/cc-pVTZ

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	0.150
2	H	0.083
3	N	-0.299
4	N	-0.299
5	N	-0.299
6	H	0.124
7	H	0.124
8	H	0.124
9	H	0.097
10	H	0.097
11	H	0.097

<r²>	83.984
(<r²>)^1/2	9.164

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)