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	hartrees
Energy at 0K	-204.541453
Energy at 298.15K	-204.551527
HF Energy	-204.122385
Nuclear repulsion energy	135.546707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3510	3328	3.16
2	A	3396	3219	10.98
3	A	3136	2973	31.38
4	A	1744	1653	43.05
5	A	1398	1325	2.02
6	A	943	894	18.13
7	A	809	767	0.03
8	A	540	512	34.14
9	A	320	303	82.43
10	E	3510	3327	0.20
10	E	3510	3327	0.20
11	E	3401	3224	0.97
11	E	3401	3224	0.97
12	E	1747	1656	14.49
12	E	1747	1656	14.49
13	E	1452	1377	16.84
13	E	1452	1377	16.84
14	E	1240	1175	41.91
14	E	1240	1175	41.91
15	E	1056	1001	42.99
15	E	1056	1001	42.99
16	E	836	792	302.17
16	E	836	792	302.17
17	E	427	404	53.77
17	E	427	404	53.77
18	E	288	273	28.88
18	E	288	273	28.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
H2	0.000	0.000	1.469
N3	0.000	1.420	-0.060
N4	1.229	-0.710	-0.060
N5	-1.229	-0.710	-0.060
H6	0.855	1.882	0.265
H7	1.203	-1.681	0.265
H8	-2.057	-0.201	0.265
H9	-0.041	1.475	-1.085
H10	1.297	-0.702	-1.085
H11	-1.257	-0.773	-1.085

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0920	1.4853	1.4853	1.4853	2.0701	2.0701	2.0701	2.0769	2.0769	2.0769
H2	1.0920		2.0864	2.0864	2.0864	2.3921	2.3921	2.3921	2.9493	2.9493	2.9493
N3	1.4853	2.0864		2.4588	2.4588	1.0247	3.3417	2.6389	1.0271	2.6900	2.7268
N4	1.4853	2.0864	2.4588		2.4588	2.6389	1.0247	3.3417	2.7268	1.0271	2.6900
N5	1.4853	2.0864	2.4588	2.4588		3.3417	2.6389	1.0247	2.6900	2.7268	1.0271
H6	2.0701	2.3921	1.0247	2.6389	3.3417		3.5802	3.5802	1.6702	2.9491	3.6507
H7	2.0701	2.3921	3.3417	1.0247	2.6389	3.5802		3.5802	3.6507	1.6702	2.9491
H8	2.0701	2.3921	2.6389	3.3417	1.0247	3.5802	3.5802		2.9491	3.6507	1.6702
H9	2.0769	2.9493	1.0271	2.7268	2.6900	1.6702	3.6507	2.9491		2.5554	2.5554
H10	2.0769	2.9493	2.6900	1.0271	2.7268	2.9491	1.6702	3.6507	2.5554		2.5554
H11	2.0769	2.9493	2.7268	2.6900	1.0271	3.6507	2.9491	1.6702	2.5554	2.5554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.756	C1	N3	H9	110.180
C1	N4	H7	109.756	C1	N4	H10	110.180
C1	N5	H8	109.756	C1	N5	H11	110.180
H2	C1	N3	107.112	H2	C1	N4	107.112
H2	C1	N5	107.112	N3	C1	N4	111.724
N3	C1	N5	111.724	N4	C1	N5	111.724
H6	N3	H9	108.981	H7	N4	H10	108.981
H8	N5	H11	108.981

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)