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	hartrees
Energy at 0K	-206.543142
Energy at 298.15K	-206.553196
HF Energy	-206.543142
Nuclear repulsion energy	137.702631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3603	3449	1.48
2	A	3508	3358	2.52
3	A	3076	2945	28.47
4	A	1631	1562	48.39
5	A	1348	1291	1.84
6	A	925	885	12.82
7	A	854	818	9.40
8	A	562	538	10.72
9	A	288	276	59.56
10	E	3607	3453	1.48
10	E	3606	3452	1.47
11	E	3512	3362	0.95
11	E	3511	3361	1.05
12	E	1641	1571	33.04
12	E	1641	1571	33.06
13	E	1405	1345	21.93
13	E	1405	1345	21.60
14	E	1226	1173	57.60
14	E	1225	1173	57.24
15	E	1058	1012	42.13
15	E	1057	1012	41.67
16	E	879	842	195.01
16	E	878	841	194.79
17	E	447	428	38.27
17	E	446	427	38.63
18	E	257	246	21.45
18	E	252	242	20.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.467
N3	0.000	1.394	-0.054
N4	1.208	-0.697	-0.054
N5	-1.208	-0.697	-0.054
H6	0.873	1.836	0.226
H7	1.154	-1.674	0.226
H8	-2.027	-0.162	0.226
H9	-0.051	1.453	-1.070
H10	1.284	-0.683	-1.070
H11	-1.233	-0.771	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0998	1.4568	1.4568	1.4568	2.0380	2.0380	2.0380	2.0450	2.0450	2.0450
H2	1.0998		2.0639	2.0639	2.0639	2.3823	2.3823	2.3823	2.9247	2.9247	2.9247
N3	1.4568	2.0639		2.4151	2.4151	1.0174	3.2899	2.5707	1.0188	2.6448	2.6907
N4	1.4568	2.0639	2.4151		2.4151	2.5707	1.0174	3.2899	2.6907	1.0188	2.6448
N5	1.4568	2.0639	2.4151	2.4151		3.2899	2.5707	1.0174	2.6448	2.6907	1.0188
H6	2.0380	2.3823	1.0174	2.5707	3.2899		3.5213	3.5213	1.6364	2.8625	3.5930
H7	2.0380	2.3823	3.2899	1.0174	2.5707	3.5213		3.5213	3.5930	1.6364	2.8625
H8	2.0380	2.3823	2.5707	3.2899	1.0174	3.5213	3.5213		2.8625	3.5930	1.6364
H9	2.0450	2.9247	1.0188	2.6907	2.6448	1.6364	3.5930	2.8625		2.5189	2.5189
H10	2.0450	2.9247	2.6448	1.0188	2.6907	2.8625	1.6364	3.5930	2.5189		2.5189
H11	2.0450	2.9247	2.6907	2.6448	1.0188	3.5930	2.8625	1.6364	2.5189	2.5189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.637	C1	N3	H9	110.137
C1	N4	H7	109.637	C1	N4	H10	110.137
C1	N5	H8	109.637	C1	N5	H11	110.137
H2	C1	N3	106.836	H2	C1	N4	106.836
H2	C1	N5	106.836	N3	C1	N4	111.973
N3	C1	N5	111.973	N4	C1	N5	111.973
H6	N3	H9	106.965	H7	N4	H10	106.965
H8	N5	H11	106.965

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.730
2	H	-0.247
3	N	-0.064
4	N	-0.064
5	N	-0.064
6	H	-0.031
7	H	-0.031
8	H	-0.031
9	H	-0.066
10	H	-0.066
11	H	-0.066

	x	y	z	Total
	-0.000	-0.000	-1.579	1.579
CHELPG
AIM
ESP

	x	y	z
x	6.789	-0.000	-0.000
y	-0.000	6.790	-0.000
z	-0.000	-0.000	6.082

<r²>	82.565
(<r²>)^1/2	9.087

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)