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	hartrees
Energy at 0K	-206.052189
Energy at 298.15K	-206.062281
HF Energy	-205.317142
Nuclear repulsion energy	137.050563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3573	3446	0.81
2	A	3477	3353	3.10
3	A	3082	2973	26.04
4	A	1645	1586	45.14
5	A	1360	1312	1.18
6	A	939	906	17.33
7	A	871	840	0.59
8	A	550	530	13.63
9	A	293	283	63.96
10	E	3573	3446	0.95
10	E	3573	3446	0.95
11	E	3480	3356	1.12
11	E	3480	3356	1.12
12	E	1655	1597	27.05
12	E	1655	1597	27.05
13	E	1424	1374	22.84
13	E	1424	1374	22.84
14	E	1232	1189	52.32
14	E	1232	1189	52.32
15	E	1064	1027	36.27
15	E	1064	1027	36.27
16	E	912	880	180.21
16	E	912	880	180.21
17	E	442	426	36.86
17	E	442	426	36.86
18	E	261	252	18.87
18	E	261	252	18.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.475
N3	0.000	1.403	-0.055
N4	1.215	-0.701	-0.055
N5	-1.215	-0.701	-0.055
H6	0.882	1.835	0.227
H7	1.148	-1.681	0.227
H8	-2.030	-0.153	0.227
H9	-0.027	1.447	-1.077
H10	1.267	-0.700	-1.077
H11	-1.239	-0.747	-1.077

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1033	1.4660	1.4660	1.4660	2.0409	2.0409	2.0409	2.0475	2.0475	2.0475
H2	1.1033		2.0755	2.0755	2.0755	2.3879	2.3879	2.3879	2.9335	2.9335	2.9335
N3	1.4660	2.0755		2.4293	2.4293	1.0219	3.3025	2.5731	1.0232	2.6587	2.6836
N4	1.4660	2.0755	2.4293		2.4293	2.5731	1.0219	3.3025	2.6836	1.0232	2.6587
N5	1.4660	2.0755	2.4293	2.4293		3.3025	2.5731	1.0219	2.6587	2.6836	1.0232
H6	2.0409	2.3879	1.0219	2.5731	3.3025		3.5259	3.5259	1.6360	2.8759	3.5869
H7	2.0409	2.3879	3.3025	1.0219	2.5731	3.5259		3.5259	3.5869	1.6360	2.8759
H8	2.0409	2.3879	2.5731	3.3025	1.0219	3.5259	3.5259		2.8759	3.5869	1.6360
H9	2.0475	2.9335	1.0232	2.6836	2.6587	1.6360	3.5869	2.8759		2.5066	2.5066
H10	2.0475	2.9335	2.6587	1.0232	2.6836	2.8759	1.6360	3.5869	2.5066		2.5066
H11	2.0475	2.9335	2.6836	2.6587	1.0232	3.5869	2.8759	1.6360	2.5066	2.5066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.927	C1	N3	H9	109.397
C1	N4	H7	108.927	C1	N4	H10	109.397
C1	N5	H8	108.927	C1	N5	H11	109.397
H2	C1	N3	106.916	H2	C1	N4	106.916
H2	C1	N5	106.916	N3	C1	N4	111.901
N3	C1	N5	111.901	N4	C1	N5	111.901
H6	N3	H9	106.259	H7	N4	H10	106.259
H8	N5	H11	106.259

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)