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	hartrees
Energy at 0K	-206.533224
Energy at 298.15K	-206.543493
HF Energy	-206.533224
Nuclear repulsion energy	137.970272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3594	0.96
2	A	3501	3501	1.31
3	A	3077	3077	29.80
4	A	1647	1647	58.27
5	A	1365	1365	1.92
6	A	942	942	17.11
7	A	888	888	0.86
8	A	569	569	20.94
9	A	328	328	65.04
10	E	3595	3595	1.67
10	E	3595	3595	1.70
11	E	3505	3505	0.32
11	E	3505	3505	0.32
12	E	1657	1657	32.14
12	E	1657	1657	32.02
13	E	1425	1425	24.08
13	E	1425	1425	23.91
14	E	1235	1235	62.37
14	E	1234	1234	62.84
15	E	1061	1061	47.89
15	E	1061	1061	47.61
16	E	913	913	228.73
16	E	913	913	228.24
17	E	452	452	39.43
17	E	452	452	39.49
18	E	305	305	22.61
18	E	305	305	22.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.465
N3	0.000	1.393	-0.055
N4	1.206	-0.696	-0.055
N5	-1.206	-0.696	-0.055
H6	0.877	1.824	0.224
H7	1.141	-1.671	0.224
H8	-2.018	-0.152	0.224
H9	-0.037	1.433	-1.071
H10	1.259	-0.685	-1.071
H11	-1.223	-0.748	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0937	1.4563	1.4563	1.4563	2.0290	2.0290	2.0290	2.0329	2.0329	2.0329
H2	1.0937		2.0612	2.0612	2.0612	2.3740	2.3740	2.3740	2.9126	2.9126	2.9126
N3	1.4563	2.0612		2.4122	2.4122	1.0161	3.2814	2.5567	1.0175	2.6331	2.6663
N4	1.4563	2.0612	2.4122		2.4122	2.5567	1.0161	3.2814	2.6663	1.0175	2.6331
N5	1.4563	2.0612	2.4122	2.4122		3.2814	2.5567	1.0161	2.6331	2.6663	1.0175
H6	2.0290	2.3740	1.0161	2.5567	3.2814		3.5051	3.5051	1.6318	2.8485	3.5633
H7	2.0290	2.3740	3.2814	1.0161	2.5567	3.5051		3.5051	3.5633	1.6318	2.8485
H8	2.0290	2.3740	2.5567	3.2814	1.0161	3.5051	3.5051		2.8485	3.5633	1.6318
H9	2.0329	2.9126	1.0175	2.6663	2.6331	1.6318	3.5633	2.8485		2.4824	2.4824
H10	2.0329	2.9126	2.6331	1.0175	2.6663	2.8485	1.6318	3.5633	2.4824		2.4824
H11	2.0329	2.9126	2.6663	2.6331	1.0175	3.5633	2.8485	1.6318	2.4824	2.4824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.006	C1	N3	H9	109.247
C1	N4	H7	109.006	C1	N4	H10	109.247
C1	N5	H8	109.006	C1	N5	H11	109.247
H2	C1	N3	107.000	H2	C1	N4	107.000
H2	C1	N5	107.000	N3	C1	N4	111.825
N3	C1	N5	111.825	N4	C1	N5	111.825
H6	N3	H9	106.731	H7	N4	H10	106.731
H8	N5	H11	106.731

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: M06-2X/6-311G**

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	0.086
2	H	0.157
3	N	-0.484
4	N	-0.484
5	N	-0.484
6	H	0.218
7	H	0.218
8	H	0.218
9	H	0.185
10	H	0.185
11	H	0.185

	x	y	z
x	5.328	0.003	-0.001
y	0.003	5.325	0.000
z	-0.001	0.000	5.121

<r²>	81.906
(<r²>)^1/2	9.050

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)