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	hartrees
Energy at 0K	-206.492932
Energy at 298.15K	-206.503155
HF Energy	-206.492932
Nuclear repulsion energy	137.796960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3411	0.52
2	A	3496	3316	5.73
3	A	3102	2942	40.43
4	A	1694	1607	54.65
5	A	1392	1320	1.72
6	A	959	910	13.74
7	A	898	852	0.03
8	A	571	542	22.30
9	A	315	298	83.80
10	E	3597	3411	0.15
10	E	3597	3411	0.15
11	E	3500	3320	0.26
11	E	3500	3320	0.26
12	E	1706	1618	27.15
12	E	1706	1618	27.16
13	E	1441	1367	30.31
13	E	1441	1367	30.32
14	E	1250	1186	64.53
14	E	1250	1186	64.57
15	E	1077	1021	47.07
15	E	1077	1021	46.99
16	E	934	886	244.03
16	E	934	886	244.02
17	E	452	428	40.19
17	E	452	428	40.15
18	E	298	282	23.90
18	E	298	282	23.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.365
H2	0.000	0.000	1.461
N3	0.000	1.395	-0.055
N4	1.208	-0.698	-0.055
N5	-1.208	-0.698	-0.055
H6	0.873	1.826	0.242
H7	1.145	-1.669	0.242
H8	-2.018	-0.157	0.242
H9	-0.010	1.441	-1.074
H10	1.253	-0.711	-1.074
H11	-1.242	-0.729	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0958	1.4569	1.4569	1.4569	2.0279	2.0279	2.0279	2.0358	2.0358	2.0358
H2	1.0958		2.0600	2.0600	2.0600	2.3629	2.3629	2.3629	2.9151	2.9151	2.9151
N3	1.4569	2.0600		2.4163	2.4163	1.0179	3.2846	2.5631	1.0196	2.6540	2.6633
N4	1.4569	2.0600	2.4163		2.4163	2.5631	1.0179	3.2846	2.6633	1.0196	2.6540
N5	1.4569	2.0600	2.4163	2.4163		3.2846	2.5631	1.0179	2.6540	2.6633	1.0196
H6	2.0279	2.3629	1.0179	2.5631	3.2846		3.5060	3.5060	1.6306	2.8834	3.5687
H7	2.0279	2.3629	3.2846	1.0179	2.5631	3.5060		3.5060	3.5687	1.6306	2.8834
H8	2.0279	2.3629	2.5631	3.2846	1.0179	3.5060	3.5060		2.8834	3.5687	1.6306
H9	2.0358	2.9151	1.0196	2.6633	2.6540	1.6306	3.5687	2.8834		2.4952	2.4952
H10	2.0358	2.9151	2.6540	1.0196	2.6633	2.8834	1.6306	3.5687	2.4952		2.4952
H11	2.0358	2.9151	2.6633	2.6540	1.0196	3.5687	2.8834	1.6306	2.4952	2.4952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.758	C1	N3	H9	109.311
C1	N4	H7	108.758	C1	N4	H10	109.311
C1	N5	H8	108.758	C1	N5	H11	109.311
H2	C1	N3	106.752	H2	C1	N4	106.752
H2	C1	N5	106.752	N3	C1	N4	112.048
N3	C1	N5	112.048	N4	C1	N5	112.048
H6	N3	H9	106.316	H7	N4	H10	106.316
H8	N5	H11	106.316

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: wB97X-D/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	0.167
2	H	0.173
3	N	-0.728
4	N	-0.728
5	N	-0.728
6	H	0.323
7	H	0.323
8	H	0.323
9	H	0.292
10	H	0.292
11	H	0.292

	x	y	z
x	4.763	-0.000	-0.000
y	-0.000	4.764	-0.001
z	-0.000	-0.001	4.783

<r²>	81.849
(<r²>)^1/2	9.047

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)