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	hartrees
Energy at 0K	-206.385301
Energy at 298.15K	-206.394931
HF Energy	-206.385301
Nuclear repulsion energy	137.605676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3529	0.82
2	A	3562	3397	0.84
3	A	3089	2946	55.69
4	A	1687	1609	57.86
5	A	1334	1272	12.34
6	A	922	879	8.64
7	A	664	634	115.96
8	A	527	503	6.38
9	A	309	295	29.52
10	E	3700	3529	0.58
10	E	3700	3529	0.58
11	E	3566	3401	0.51
11	E	3566	3401	0.50
12	E	1690	1611	35.64
12	E	1690	1611	35.63
13	E	1436	1370	28.53
13	E	1436	1370	28.50
14	E	1241	1184	87.81
14	E	1241	1184	87.79
15	E	1037	989	32.58
15	E	1037	989	32.60
16	E	641	611	331.86
16	E	641	611	331.85
17	E	426	406	98.56
17	E	426	406	98.53
18	E	219	209	45.65
18	E	219	209	45.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.464
N3	0.000	1.386	-0.062
N4	1.201	-0.693	-0.062
N5	-1.201	-0.693	-0.062
H6	0.800	1.924	0.239
H7	1.266	-1.655	0.239
H8	-2.067	-0.269	0.239
H9	-0.238	1.525	-1.035
H10	1.440	-0.557	-1.035
H11	-1.202	-0.969	-1.035

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0933	1.4522	1.4522	1.4522	2.0884	2.0884	2.0884	2.0876	2.0876	2.0876
H2	1.0933		2.0616	2.0616	2.0616	2.4176	2.4176	2.4176	2.9370	2.9370	2.9370
N3	1.4522	2.0616		2.4012	2.4012	1.0102	3.3084	2.6650	1.0109	2.6065	2.8173
N4	1.4522	2.0616	2.4012		2.4012	2.6650	1.0102	3.3084	2.8173	1.0109	2.6065
N5	1.4522	2.0616	2.4012	2.4012		3.3084	2.6650	1.0102	2.6065	2.8173	1.0109
H6	2.0884	2.4176	1.0102	2.6650	3.3084		3.6099	3.6099	1.6909	2.8610	3.7418
H7	2.0884	2.4176	3.3084	1.0102	2.6650	3.6099		3.6099	3.7418	1.6909	2.8610
H8	2.0884	2.4176	2.6650	3.3084	1.0102	3.6099	3.6099		2.8610	3.7418	1.6909
H9	2.0876	2.9370	1.0109	2.8173	2.6065	1.6909	3.7418	2.8610		2.6739	2.6739
H10	2.0876	2.9370	2.6065	1.0109	2.8173	2.8610	1.6909	3.7418	2.6739		2.6739
H11	2.0876	2.9370	2.8173	2.6065	1.0109	3.7418	2.8610	1.6909	2.6739	2.6739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.819	C1	N3	H9	114.699
C1	N4	H7	114.819	C1	N4	H10	114.699
C1	N5	H8	114.819	C1	N5	H11	114.699
H2	C1	N3	107.330	H2	C1	N4	107.330
H2	C1	N5	107.330	N3	C1	N4	111.525
N3	C1	N5	111.525	N4	C1	N5	111.525
H6	N3	H9	113.564	H7	N4	H10	113.564
H8	N5	H11	113.564

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B1B95/6-31G

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	0.172
2	H	0.181
3	N	-0.698
4	N	-0.698
5	N	-0.698
6	H	0.301
7	H	0.301
8	H	0.301
9	H	0.279
10	H	0.279
11	H	0.279

<r²>	82.423
(<r²>)^1/2	9.079

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)