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	hartrees
Energy at 0K	-205.109732
Energy at 298.15K
HF Energy	-204.969906
Nuclear repulsion energy	136.016305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3495	3495	3.92
2	A	3386	3386	11.35
3	A	3119	3119	32.99
4	A	1725	1725	43.88
5	A	1382	1382	2.00
6	A	916	916	19.87
7	A	789	789	3.12
8	A	539	539	29.22
9	A	314	314	76.80
10	E	3495	3495	0.69
10	E	3495	3495	0.69
11	E	3390	3390	2.30
11	E	3390	3390	2.30
12	E	1729	1729	14.55
12	E	1729	1729	14.55
13	E	1439	1439	17.14
13	E	1439	1439	17.14
14	E	1229	1229	39.39
14	E	1229	1229	39.39
15	E	1040	1040	42.39
15	E	1040	1040	42.39
16	E	795	795	316.83
16	E	795	795	316.83
17	E	423	423	55.84
17	E	423	423	55.83
18	E	275	275	30.76
18	E	275	275	30.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.376
H2	0.000	0.000	1.467
N3	0.000	1.412	-0.060
N4	1.223	-0.706	-0.060
N5	-1.223	-0.706	-0.060
H6	0.853	1.881	0.258
H7	1.203	-1.680	0.258
H8	-2.056	-0.202	0.258
H9	-0.061	1.476	-1.082
H10	1.308	-0.685	-1.082
H11	-1.248	-0.790	-1.082

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0908	1.4779	1.4779	1.4779	2.0693	2.0693	2.0693	2.0759	2.0759	2.0759
H2	1.0908		2.0797	2.0797	2.0797	2.3938	2.3938	2.3938	2.9464	2.9464	2.9464
N3	1.4779	2.0797		2.4458	2.4458	1.0242	3.3326	2.6330	1.0263	2.6754	2.7302
N4	1.4779	2.0797	2.4458		2.4458	2.6330	1.0242	3.3326	2.7302	1.0263	2.6754
N5	1.4779	2.0797	2.4458	2.4458		3.3326	2.6330	1.0242	2.6754	2.7302	1.0263
H6	2.0693	2.3938	1.0242	2.6330	3.3326		3.5782	3.5782	1.6718	2.9312	3.6536
H7	2.0693	2.3938	3.3326	1.0242	2.6330	3.5782		3.5782	3.6536	1.6718	2.9312
H8	2.0693	2.3938	2.6330	3.3326	1.0242	3.5782	3.5782		2.9312	3.6536	1.6718
H9	2.0759	2.9464	1.0263	2.7302	2.6754	1.6718	3.6536	2.9312		2.5585	2.5585
H10	2.0759	2.9464	2.6754	1.0263	2.7302	2.9312	1.6718	3.6536	2.5585		2.5585
H11	2.0759	2.9464	2.7302	2.6754	1.0263	3.6536	2.9312	1.6718	2.5585	2.5585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.271	C1	N3	H9	110.693
C1	N4	H7	110.270	C1	N4	H10	110.693
C1	N5	H8	110.270	C1	N5	H11	110.693
H2	C1	N3	107.159	H2	C1	N4	107.159
H2	C1	N5	107.159	N3	C1	N4	111.681
N3	C1	N5	111.681	N4	C1	N5	111.681
H6	N3	H9	109.235	H7	N4	H10	109.235
H8	N5	H11	109.235

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)