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	hartrees
Energy at 0K	-205.480763
Energy at 298.15K	-205.490849
HF Energy	-205.480763
Nuclear repulsion energy	138.413135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3394	0.45
2	A	3352	3289	7.99
3	A	2958	2902	30.48
4	A	1598	1568	66.08
5	A	1331	1306	0.24
6	A	919	901	8.08
7	A	867	851	4.47
8	A	555	544	25.35
9	A	325	319	67.59
10	E	3460	3396	0.23
10	E	3460	3396	0.23
11	E	3358	3295	1.43
11	E	3358	3295	1.43
12	E	1616	1586	26.05
12	E	1616	1586	26.05
13	E	1372	1347	31.26
13	E	1372	1347	31.26
14	E	1217	1194	54.30
14	E	1217	1194	54.31
15	E	1039	1019	31.96
15	E	1039	1019	31.95
16	E	878	861	259.76
16	E	878	861	259.75
17	E	432	424	42.85
17	E	432	424	42.85
18	E	288	282	23.61
18	E	288	282	23.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.477
N3	0.000	1.382	-0.051
N4	1.197	-0.691	-0.051
N5	-1.197	-0.691	-0.051
H6	0.897	1.810	0.217
H7	1.119	-1.682	0.217
H8	-2.016	-0.128	0.217
H9	-0.045	1.417	-1.081
H10	1.249	-0.670	-1.081
H11	-1.205	-0.747	-1.081

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1105	1.4438	1.4438	1.4438	2.0253	2.0253	2.0253	2.0256	2.0256	2.0256
H2	1.1105		2.0604	2.0604	2.0604	2.3804	2.3804	2.3804	2.9240	2.9240	2.9240
N3	1.4438	2.0604		2.3939	2.3939	1.0292	3.2727	2.5331	1.0308	2.6137	2.6542
N4	1.4438	2.0604	2.3939		2.3939	2.5331	1.0292	3.2727	2.6542	1.0308	2.6137
N5	1.4438	2.0604	2.3939	2.3939		3.2727	2.5331	1.0292	2.6137	2.6542	1.0308
H6	2.0253	2.3804	1.0292	2.5331	3.2727		3.4985	3.4985	1.6507	2.8209	3.5552
H7	2.0253	2.3804	3.2727	1.0292	2.5331	3.4985		3.4985	3.5552	1.6507	2.8209
H8	2.0253	2.3804	2.5331	3.2727	1.0292	3.4985	3.4985		2.8209	3.5552	1.6507
H9	2.0256	2.9240	1.0308	2.6542	2.6137	1.6507	3.5552	2.8209		2.4555	2.4555
H10	2.0256	2.9240	2.6137	1.0308	2.6542	2.8209	1.6507	3.5552	2.4555		2.4555
H11	2.0256	2.9240	2.6542	2.6137	1.0308	3.5552	2.8209	1.6507	2.4555	2.4555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.808	C1	N3	H9	108.732
C1	N4	H7	108.808	C1	N4	H10	108.732
C1	N5	H8	108.808	C1	N5	H11	108.732
H2	C1	N3	106.809	H2	C1	N4	106.809
H2	C1	N5	106.809	N3	C1	N4	111.997
N3	C1	N5	111.997	N4	C1	N5	111.997
H6	N3	H9	106.507	H7	N4	H10	106.507
H8	N5	H11	106.507

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.051
2	H	0.179
3	N	-0.682
4	N	-0.682
5	N	-0.682
6	H	0.319
7	H	0.319
8	H	0.319
9	H	0.286
10	H	0.286
11	H	0.286

<r²>	81.026
(<r²>)^1/2	9.001

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)