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	hartrees
Energy at 0K	-202.767345
Energy at 298.15K	-202.776799
HF Energy	-202.767345
Nuclear repulsion energy	134.059031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3246	16.21
2	A	3429	3071	12.32
3	A	3335	2987	0.10
4	A	1802	1613	18.23
5	A	1471	1317	0.01
6	A	1023	916	0.71
7	A	867	776	2.20
8	A	494	443	14.15
9	A	243	217	112.77
10	E	3623	3244	2.68
10	E	3623	3244	2.68
11	E	3441	3081	13.26
11	E	3441	3081	13.26
12	E	1808	1619	4.88
12	E	1808	1619	4.88
13	E	1460	1307	19.17
13	E	1460	1307	19.17
14	E	1264	1131	29.40
14	E	1264	1131	29.40
15	E	1149	1028	13.51
15	E	1149	1028	13.51
16	E	895	801	153.63
16	E	895	801	153.63
17	E	386	346	39.34
17	E	386	346	39.34
18	E	241	216	19.14
18	E	241	216	19.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.379
H2	0.000	0.000	1.491
N3	0.000	1.436	-0.073
N4	1.243	-0.718	-0.073
N5	-1.243	-0.718	-0.073
H6	0.884	1.840	0.358
H7	1.151	-1.686	0.358
H8	-2.036	-0.154	0.358
H9	0.267	1.382	-1.103
H10	1.064	-0.922	-1.103
H11	-1.331	-0.460	-1.103

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1122	1.5048	1.5048	1.5048	2.0415	2.0415	2.0415	2.0438	2.0438	2.0438
H2	1.1122		2.1226	2.1226	2.1226	2.3346	2.3346	2.3346	2.9512	2.9512	2.9512
N3	1.5048	2.1226		2.4865	2.4865	1.0633	3.3546	2.6185	1.0655	2.7845	2.5349
N4	1.5048	2.1226	2.4865		2.4865	2.6185	1.0633	3.3546	2.5349	1.0655	2.7845
N5	1.5048	2.1226	2.4865	2.4865		3.3546	2.6185	1.0633	2.7845	2.5349	1.0655
H6	2.0415	2.3346	1.0633	2.6185	3.3546		3.5358	3.5358	1.6505	3.1300	3.5114
H7	2.0415	2.3346	3.3546	1.0633	2.6185	3.5358		3.5358	3.5114	1.6505	3.1300
H8	2.0415	2.3346	2.6185	3.3546	1.0633	3.5358	3.5358		3.1300	3.5114	1.6505
H9	2.0438	2.9512	1.0655	2.5349	2.7845	1.6505	3.5114	3.1300		2.4388	2.4388
H10	2.0438	2.9512	2.7845	1.0655	2.5349	3.1300	1.6505	3.5114	2.4388		2.4388
H11	2.0438	2.9512	2.5349	2.7845	1.0655	3.5114	3.1300	1.6505	2.4388	2.4388

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	103.966	C1	N3	H9	104.025
C1	N4	H7	103.966	C1	N4	H10	104.025
C1	N5	H8	103.966	C1	N5	H11	104.025
H2	C1	N3	107.448	H2	C1	N4	107.448
H2	C1	N5	107.448	N3	C1	N4	111.416
N3	C1	N5	111.416	N4	C1	N5	111.416
H6	N3	H9	101.661	H7	N4	H10	101.661
H8	N5	H11	101.661

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: LSDA/STO-3G

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	0.079
2	H	0.104
3	N	-0.393
4	N	-0.393
5	N	-0.393
6	H	0.175
7	H	0.175
8	H	0.175
9	H	0.156
10	H	0.156
11	H	0.156

<r²>	83.835
(<r²>)^1/2	9.156

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)