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	hartrees
Energy at 0K	-205.836455
Energy at 298.15K	-205.846800
HF Energy	-205.267447
Nuclear repulsion energy	138.294789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3680	3407	0.00
2	A	3585	3319	2.62
3	A	3191	2954	38.36
4	A	1754	1624	56.63
5	A	1442	1335	2.72
6	A	1005	931	14.09
7	A	932	863	0.93
8	A	580	537	23.06
9	A	323	299	90.41
10	E	3679	3406	0.84
10	E	3679	3406	0.84
11	E	3584	3318	0.25
11	E	3584	3318	0.25
12	E	1767	1635	30.89
12	E	1767	1635	30.89
13	E	1506	1394	33.91
13	E	1506	1394	33.91
14	E	1296	1200	74.51
14	E	1296	1200	74.51
15	E	1117	1034	47.62
15	E	1117	1034	47.62
16	E	987	914	236.60
16	E	987	914	236.60
17	E	465	431	41.54
17	E	465	431	41.54
18	E	305	282	23.03
18	E	305	282	23.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.456
N3	0.000	1.390	-0.056
N4	1.203	-0.695	-0.056
N5	-1.203	-0.695	-0.056
H6	0.863	1.825	0.246
H7	1.149	-1.660	0.246
H8	-2.012	-0.165	0.246
H9	-0.005	1.436	-1.070
H10	1.246	-0.713	-1.070
H11	-1.241	-0.722	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0896	1.4524	1.4524	1.4524	2.0227	2.0227	2.0227	2.0306	2.0306	2.0306
H2	1.0896		2.0537	2.0537	2.0537	2.3541	2.3541	2.3541	2.9052	2.9052	2.9052
N3	1.4524	2.0537		2.4067	2.4067	1.0130	3.2730	2.5607	1.0144	2.6459	2.6507
N4	1.4524	2.0537	2.4067		2.4067	2.5607	1.0130	3.2730	2.6507	1.0144	2.6459
N5	1.4524	2.0537	2.4067	2.4067		3.2730	2.5607	1.0130	2.6459	2.6507	1.0144
H6	2.0227	2.3541	1.0130	2.5607	3.2730		3.4971	3.4972	1.6236	2.8845	3.5562
H7	2.0227	2.3541	3.2730	1.0130	2.5607	3.4971		3.4972	3.5562	1.6236	2.8845
H8	2.0227	2.3541	2.5607	3.2730	1.0130	3.4972	3.4972		2.8845	3.5562	1.6236
H9	2.0306	2.9052	1.0144	2.6507	2.6459	1.6236	3.5562	2.8845		2.4866	2.4866
H10	2.0306	2.9052	2.6459	1.0144	2.6507	2.8845	1.6236	3.5562	2.4866		2.4866
H11	2.0306	2.9052	2.6507	2.6459	1.0144	3.5562	2.8845	1.6236	2.4866	2.4866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.953	C1	N3	H9	109.527
C1	N4	H7	108.953	C1	N4	H10	109.527
C1	N5	H8	108.953	C1	N5	H11	109.527
H2	C1	N3	106.922	H2	C1	N4	106.922
H2	C1	N5	106.922	N3	C1	N4	111.896
N3	C1	N5	111.896	N4	C1	N5	111.896
H6	N3	H9	106.417	H7	N4	H10	106.417
H8	N5	H11	106.417

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)