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	hartrees
Energy at 0K	-205.604054
Energy at 298.15K	-205.614082
HF Energy	-205.177716
Nuclear repulsion energy	135.981588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3455	0.04
2	A	3503	3329	3.09
3	A	3110	2955	41.01
4	A	1728	1642	54.60
5	A	1376	1307	8.34
6	A	916	870	26.23
7	A	784	744	38.23
8	A	555	527	13.32
9	A	331	315	69.87
10	E	3637	3455	0.36
10	E	3637	3455	0.36
11	E	3508	3333	0.39
11	E	3508	3333	0.39
12	E	1732	1645	25.39
12	E	1732	1645	25.39
13	E	1452	1379	24.90
13	E	1452	1379	24.90
14	E	1243	1181	63.54
14	E	1243	1181	63.54
15	E	1047	995	39.14
15	E	1047	995	39.14
16	E	785	746	357.37
16	E	785	746	357.37
17	E	442	420	62.60
17	E	442	420	62.60
18	E	271	257	32.66
18	E	271	257	32.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.467
N3	0.000	1.410	-0.061
N4	1.221	-0.705	-0.061
N5	-1.221	-0.705	-0.061
H6	0.822	1.920	0.257
H7	1.252	-1.672	0.257
H8	-2.074	-0.248	0.257
H9	-0.147	1.521	-1.064
H10	1.391	-0.633	-1.064
H11	-1.244	-0.888	-1.064

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0960	1.4746	1.4746	1.4746	2.0918	2.0918	2.0918	2.0964	2.0964	2.0964
H2	1.0960		2.0791	2.0791	2.0791	2.4139	2.4139	2.4139	2.9565	2.9565	2.9565
N3	1.4746	2.0791		2.4420	2.4420	1.0183	3.3415	2.6741	1.0196	2.6674	2.7989
N4	1.4746	2.0791	2.4420		2.4420	2.6741	1.0183	3.3415	2.7989	1.0196	2.6674
N5	1.4746	2.0791	2.4420	2.4420		3.3415	2.6741	1.0183	2.6674	2.7989	1.0196
H6	2.0918	2.4139	1.0183	2.6741	3.3415		3.6176	3.6176	1.6859	2.9304	3.7280
H7	2.0918	2.4139	3.3415	1.0183	2.6741	3.6176		3.6176	3.7280	1.6859	2.9304
H8	2.0918	2.4139	2.6741	3.3415	1.0183	3.6176	3.6176		2.9304	3.7280	1.6859
H9	2.0964	2.9565	1.0196	2.7989	2.6674	1.6859	3.7280	2.9304		2.6473	2.6473
H10	2.0964	2.9565	2.6674	1.0196	2.7989	2.9304	1.6859	3.7280	2.6473		2.6473
H11	2.0964	2.9565	2.7989	2.6674	1.0196	3.7280	2.9304	1.6859	2.6473	2.6473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	112.803	C1	N3	H9	113.118
C1	N4	H7	112.803	C1	N4	H10	113.118
C1	N5	H8	112.803	C1	N5	H11	113.118
H2	C1	N3	107.037	H2	C1	N4	107.037
H2	C1	N5	107.037	N3	C1	N4	111.791
N3	C1	N5	111.791	N4	C1	N5	111.791
H6	N3	H9	111.637	H7	N4	H10	111.637
H8	N5	H11	111.637

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)