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	hartrees
Energy at 0K	-203.534577
Energy at 298.15K
HF Energy	-203.464262
Nuclear repulsion energy	133.270405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3725	3725	24.83
2	A	3534	3534	13.59
3	A	3409	3409	1.43
4	A	1882	1882	12.30
5	A	1525	1525	0.03
6	A	1113	1113	0.47
7	A	895	895	2.79
8	A	517	517	16.19
9	A	252	252	105.67
10	E	3723	3723	2.89
10	E	3723	3723	2.89
11	E	3542	3542	12.04
11	E	3542	3542	12.04
12	E	1887	1887	2.96
12	E	1887	1887	2.96
13	E	1531	1531	24.75
13	E	1531	1531	24.75
14	E	1319	1319	40.11
14	E	1319	1319	40.11
15	E	1196	1196	10.83
15	E	1196	1196	10.83
16	E	1009	1009	106.03
16	E	1009	1009	106.03
17	E	406	406	25.43
17	E	406	406	25.43
18	E	258	258	16.43
18	E	258	258	16.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.380
H2	0.000	0.000	1.491
N3	0.000	1.448	-0.074
N4	1.254	-0.724	-0.074
N5	-1.254	-0.724	-0.074
H6	0.874	1.855	0.361
H7	1.169	-1.685	0.361
H8	-2.043	-0.170	0.361
H9	0.271	1.406	-1.098
H10	1.082	-0.938	-1.098
H11	-1.353	-0.468	-1.098

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1104	1.5182	1.5181	1.5181	2.0505	2.0505	2.0505	2.0581	2.0581	2.0581
H2	1.1104		2.1326	2.1326	2.1326	2.3411	2.3411	2.3411	2.9586	2.9586	2.9586
N3	1.5182	2.1326		2.5087	2.5087	1.0580	3.3722	2.6428	1.0601	2.8127	2.5594
N4	1.5181	2.1326	2.5087		2.5087	2.6428	1.0580	3.3722	2.5594	1.0601	2.8127
N5	1.5181	2.1326	2.5087	2.5087		3.3722	2.6428	1.0580	2.8127	2.5594	1.0601
H6	2.0505	2.3411	1.0580	2.6428	3.3722		3.5515	3.5515	1.6419	3.1574	3.5334
H7	2.0505	2.3411	3.3722	1.0580	2.6428	3.5515		3.5515	3.5334	1.6419	3.1574
H8	2.0505	2.3411	2.6428	3.3722	1.0580	3.5515	3.5515		3.1574	3.5334	1.6419
H9	2.0581	2.9586	1.0601	2.5594	2.8127	1.6419	3.5334	3.1574		2.4793	2.4793
H10	2.0581	2.9586	2.8127	1.0601	2.5594	3.1574	1.6419	3.5334	2.4793		2.4793
H11	2.0581	2.9586	2.5594	2.8127	1.0601	3.5334	3.1574	1.6419	2.4793	2.4793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	104.062	C1	N3	H9	104.525
C1	N4	H7	104.062	C1	N4	H10	104.525
C1	N5	H8	104.062	C1	N5	H11	104.525
H2	C1	N3	107.436	H2	C1	N4	107.436
H2	C1	N5	107.436	N3	C1	N4	111.428
N3	C1	N5	111.428	N4	C1	N5	111.428
H6	N3	H9	101.636	H7	N4	H10	101.636
H8	N5	H11	101.636

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH7N3 (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)