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	hartrees
Energy at 0K	-206.428296
Energy at 298.15K	-206.438397
HF Energy	-206.428296
Nuclear repulsion energy	136.884232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3446	3378	5.80
2	A	3343	3277	14.07
3	A	3001	2942	42.63
4	A	1652	1620	47.37
5	A	1358	1331	0.60
6	A	951	932	8.41
7	A	849	832	1.20
8	A	550	539	21.67
9	A	311	305	74.13
10	E	3446	3378	2.31
10	E	3446	3378	2.31
11	E	3346	3281	5.10
11	E	3346	3281	5.10
12	E	1665	1632	16.28
12	E	1665	1632	16.28
13	E	1404	1376	26.57
13	E	1404	1376	26.57
14	E	1209	1186	48.43
14	E	1209	1186	48.43
15	E	1031	1011	55.44
15	E	1031	1011	55.45
16	E	906	888	227.76
16	E	906	888	227.76
17	E	434	426	34.90
17	E	434	426	34.89
18	E	291	285	20.77
18	E	291	285	20.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.469
N3	0.000	1.407	-0.054
N4	1.218	-0.703	-0.054
N5	-1.218	-0.703	-0.054
H6	0.893	1.823	0.231
H7	1.133	-1.685	0.231
H8	-2.025	-0.139	0.231
H9	-0.002	1.437	-1.080
H10	1.246	-0.717	-1.080
H11	-1.244	-0.720	-1.080

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1018	1.4684	1.4684	1.4684	2.0346	2.0346	2.0346	2.0393	2.0393	2.0393
H2	1.1018		2.0729	2.0729	2.0729	2.3777	2.3777	2.3777	2.9259	2.9259	2.9259
N3	1.4684	2.0729		2.4367	2.4367	1.0254	3.3048	2.5634	1.0266	2.6675	2.6692
N4	1.4684	2.0729	2.4367		2.4367	2.5634	1.0254	3.3048	2.6692	1.0266	2.6675
N5	1.4684	2.0729	2.4367	2.4367		3.3048	2.5634	1.0254	2.6675	2.6692	1.0266
H6	2.0346	2.3777	1.0254	2.5634	3.3048		3.5162	3.5162	1.6332	2.8802	3.5711
H7	2.0346	2.3777	3.3048	1.0254	2.5634	3.5162		3.5162	3.5711	1.6332	2.8802
H8	2.0346	2.3777	2.5634	3.3048	1.0254	3.5162	3.5162		2.8802	3.5711	1.6332
H9	2.0393	2.9259	1.0266	2.6692	2.6675	1.6332	3.5711	2.8802		2.4895	2.4895
H10	2.0393	2.9259	2.6675	1.0266	2.6692	2.8802	1.6332	3.5711	2.4895		2.4895
H11	2.0393	2.9259	2.6692	2.6675	1.0266	3.5711	2.8802	1.6332	2.4895	2.4895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.036	C1	N3	H9	108.344
C1	N4	H7	108.036	C1	N4	H10	108.344
C1	N5	H8	108.036	C1	N5	H11	108.344
H2	C1	N3	106.642	H2	C1	N4	106.642
H2	C1	N5	106.642	N3	C1	N4	112.146
N3	C1	N5	112.146	N4	C1	N5	112.146
H6	N3	H9	105.486	H7	N4	H10	105.486
H8	N5	H11	105.486

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B97D3/6-31G*

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	0.159
2	H	0.156
3	N	-0.680
4	N	-0.680
5	N	-0.680
6	H	0.302
7	H	0.302
8	H	0.302
9	H	0.273
10	H	0.273
11	H	0.273

<r²>	82.756
(<r²>)^1/2	9.097

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)