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	hartrees
Energy at 0K	-205.931792
Energy at 298.15K	-205.942061
HF Energy	-205.265455
Nuclear repulsion energy	137.440851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3546	3377	1.13
2	A	3448	3283	7.05
3	A	3093	2945	34.12
4	A	1709	1628	54.31
5	A	1411	1344	1.25
6	A	1000	952	9.04
7	A	901	858	2.07
8	A	565	538	24.64
9	A	318	303	87.36
10	E	3545	3376	0.01
10	E	3545	3376	0.01
11	E	3450	3285	0.14
11	E	3450	3285	0.14
12	E	1721	1639	25.57
12	E	1721	1639	25.57
13	E	1461	1391	30.03
13	E	1461	1391	30.03
14	E	1263	1203	63.38
14	E	1263	1203	63.38
15	E	1089	1037	41.57
15	E	1089	1037	41.57
16	E	973	927	227.27
16	E	973	927	227.27
17	E	452	430	39.83
17	E	452	430	39.83
18	E	303	289	21.96
18	E	303	289	21.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.467
N3	0.000	1.398	-0.056
N4	1.211	-0.699	-0.056
N5	-1.211	-0.699	-0.056
H6	0.879	1.826	0.246
H7	1.142	-1.674	0.246
H8	-2.020	-0.152	0.246
H9	0.011	1.431	-1.080
H10	1.234	-0.725	-1.080
H11	-1.245	-0.706	-1.080

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0978	1.4616	1.4616	1.4616	2.0299	2.0299	2.0299	2.0364	2.0364	2.0364
H2	1.0978		2.0674	2.0674	2.0674	2.3655	2.3655	2.3655	2.9210	2.9210	2.9210
N3	1.4616	2.0674		2.4223	2.4223	1.0225	3.2914	2.5647	1.0241	2.6609	2.6509
N4	1.4616	2.0674	2.4223		2.4223	2.5647	1.0225	3.2914	2.6509	1.0241	2.6609
N5	1.4616	2.0674	2.4223	2.4223		3.2914	2.5647	1.0225	2.6609	2.6509	1.0241
H6	2.0299	2.3655	1.0225	2.5647	3.2914		3.5094	3.5094	1.6324	2.8966	3.5605
H7	2.0299	2.3655	3.2914	1.0225	2.5647	3.5094		3.5094	3.5605	1.6324	2.8966
H8	2.0299	2.3655	2.5647	3.2914	1.0225	3.5094	3.5094		2.8966	3.5605	1.6324
H9	2.0364	2.9210	1.0241	2.6509	2.6609	1.6324	3.5605	2.8966		2.4792	2.4792
H10	2.0364	2.9210	2.6609	1.0241	2.6509	2.8966	1.6324	3.5605	2.4792		2.4792
H11	2.0364	2.9210	2.6509	2.6609	1.0241	3.5605	2.8966	1.6324	2.4792	2.4792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.303	C1	N3	H9	108.737
C1	N4	H7	108.303	C1	N4	H10	108.737
C1	N5	H8	108.303	C1	N5	H11	108.737
H2	C1	N3	106.900	H2	C1	N4	106.900
H2	C1	N5	106.900	N3	C1	N4	111.915
N3	C1	N5	111.915	N4	C1	N5	111.916
H6	N3	H9	105.807	H7	N4	H10	105.806
H8	N5	H11	105.807

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)