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	hartrees
Energy at 0K	-206.505040
Energy at 298.15K	-206.515220
HF Energy	-206.505040
Nuclear repulsion energy	138.341194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3439	1.49
2	A	3497	3352	9.72
3	A	3076	2949	38.80
4	A	1699	1629	67.53
5	A	1382	1325	0.90
6	A	946	907	16.26
7	A	890	853	0.15
8	A	556	533	22.79
9	A	319	305	71.68
10	E	3588	3440	0.29
10	E	3588	3440	0.29
11	E	3500	3355	1.17
11	E	3500	3355	1.17
12	E	1711	1640	32.28
12	E	1711	1640	32.28
13	E	1433	1374	25.82
13	E	1433	1374	25.82
14	E	1242	1190	60.04
14	E	1242	1190	60.03
15	E	1063	1019	53.33
15	E	1063	1019	53.33
16	E	918	880	242.91
16	E	918	880	242.91
17	E	439	421	42.62
17	E	439	421	42.62
18	E	288	276	23.92
18	E	288	276	23.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.458
N3	0.000	1.389	-0.054
N4	1.203	-0.695	-0.054
N5	-1.203	-0.695	-0.054
H6	0.872	1.819	0.232
H7	1.139	-1.665	0.232
H8	-2.011	-0.154	0.232
H9	-0.029	1.436	-1.068
H10	1.258	-0.693	-1.068
H11	-1.229	-0.743	-1.068

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0931	1.4511	1.4511	1.4511	2.0217	2.0217	2.0217	2.0286	2.0286	2.0286
H2	1.0931		2.0534	2.0534	2.0534	2.3607	2.3607	2.3607	2.9054	2.9054	2.9054
N3	1.4511	2.0534		2.4064	2.4064	1.0135	3.2723	2.5515	1.0151	2.6354	2.6620
N4	1.4511	2.0534	2.4064		2.4064	2.5515	1.0135	3.2723	2.6620	1.0151	2.6354
N5	1.4511	2.0534	2.4064	2.4064		3.2723	2.5515	1.0135	2.6354	2.6620	1.0151
H6	2.0217	2.3607	1.0135	2.5515	3.2723		3.4942	3.4942	1.6274	2.8542	3.5595
H7	2.0217	2.3607	3.2723	1.0135	2.5515	3.4942		3.4942	3.5595	1.6274	2.8542
H8	2.0217	2.3607	2.5515	3.2723	1.0135	3.4942	3.4942		2.8542	3.5595	1.6274
H9	2.0286	2.9054	1.0151	2.6620	2.6354	1.6274	3.5595	2.8542		2.4878	2.4878
H10	2.0286	2.9054	2.6354	1.0151	2.6620	2.8542	1.6274	3.5595	2.4878		2.4878
H11	2.0286	2.9054	2.6620	2.6354	1.0151	3.5595	2.8542	1.6274	2.4878	2.4878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.934	C1	N3	H9	109.406
C1	N4	H7	108.934	C1	N4	H10	109.406
C1	N5	H8	108.934	C1	N5	H11	109.406
H2	C1	N3	106.778	H2	C1	N4	106.778
H2	C1	N5	106.778	N3	C1	N4	112.025
N3	C1	N5	112.025	N4	C1	N5	112.025
H6	N3	H9	106.682	H7	N4	H10	106.682
H8	N5	H11	106.682

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B1B95/6-311G*

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	0.098
2	H	0.227
3	N	-0.726
4	N	-0.726
5	N	-0.726
6	H	0.327
7	H	0.327
8	H	0.327
9	H	0.291
10	H	0.291
11	H	0.291

<r²>	81.538
(<r²>)^1/2	9.030

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)