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	hartrees
Energy at 0K	-206.575693
Energy at 298.15K	-206.585704
HF Energy	-206.575693
Nuclear repulsion energy	137.975250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3579	3427	1.70
2	A	3490	3341	2.87
3	A	3034	2904	25.90
4	A	1634	1565	51.31
5	A	1341	1284	1.83
6	A	914	875	13.87
7	A	838	802	8.73
8	A	556	532	10.94
9	A	302	289	55.25
10	E	3580	3427	1.17
10	E	3580	3427	1.17
11	E	3493	3344	0.67
11	E	3493	3344	0.67
12	E	1643	1573	29.91
12	E	1643	1573	29.91
13	E	1409	1349	20.35
13	E	1409	1349	20.35
14	E	1212	1160	52.56
14	E	1212	1160	52.56
15	E	1036	992	44.69
15	E	1036	992	44.71
16	E	864	827	207.44
16	E	864	827	207.44
17	E	440	421	38.59
17	E	440	421	38.59
18	E	250	240	20.21
18	E	250	240	20.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.461
N3	0.000	1.392	-0.053
N4	1.205	-0.696	-0.053
N5	-1.205	-0.696	-0.053
H6	0.870	1.837	0.219
H7	1.155	-1.672	0.219
H8	-2.026	-0.165	0.219
H9	-0.067	1.456	-1.064
H10	1.294	-0.670	-1.064
H11	-1.227	-0.786	-1.064

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0945	1.4538	1.4538	1.4538	2.0375	2.0375	2.0375	2.0422	2.0422	2.0422
H2	1.0945		2.0566	2.0566	2.0566	2.3812	2.3812	2.3812	2.9155	2.9155	2.9155
N3	1.4538	2.0566		2.4110	2.4110	1.0145	3.2858	2.5691	1.0153	2.6362	2.6968
N4	1.4538	2.0566	2.4110		2.4110	2.5691	1.0145	3.2858	2.6968	1.0153	2.6362
N5	1.4538	2.0566	2.4110	2.4110		3.2858	2.5691	1.0145	2.6362	2.6968	1.0153
H6	2.0375	2.3812	1.0145	2.5691	3.2858		3.5199	3.5199	1.6346	2.8479	3.5953
H7	2.0375	2.3812	3.2858	1.0145	2.5691	3.5199		3.5199	3.5953	1.6346	2.8479
H8	2.0375	2.3812	2.5691	3.2858	1.0145	3.5199	3.5199		2.8479	3.5953	1.6346
H9	2.0422	2.9155	1.0153	2.6968	2.6362	1.6346	3.5953	2.8479		2.5245	2.5245
H10	2.0422	2.9155	2.6362	1.0153	2.6968	2.8479	1.6346	3.5953	2.5245		2.5245
H11	2.0422	2.9155	2.6968	2.6362	1.0153	3.5953	2.8479	1.6346	2.5245	2.5245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.995	C1	N3	H9	110.342
C1	N4	H7	109.995	C1	N4	H10	110.342
C1	N5	H8	109.995	C1	N5	H11	110.342
H2	C1	N3	106.767	H2	C1	N4	106.767
H2	C1	N5	106.767	N3	C1	N4	112.035
N3	C1	N5	112.035	N4	C1	N5	112.035
H6	N3	H9	107.271	H7	N4	H10	107.271
H8	N5	H11	107.271

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3PW91/6-311+G(3df,2p)

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	1.401
2	H	0.087
3	N	-0.870
4	N	-0.870
5	N	-0.870
6	H	0.199
7	H	0.199
8	H	0.199
9	H	0.175
10	H	0.175
11	H	0.175

	x	y	z
x	6.759	0.000	-0.000
y	0.000	6.759	-0.000
z	-0.000	-0.000	5.975

<r²>	82.301
(<r²>)^1/2	9.072

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)