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	hartrees
Energy at 0K	-206.184925
Energy at 298.15K	-206.195054
HF Energy	-205.360797
Nuclear repulsion energy	138.182127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3600	3419	1.94
2	A	3496	3320	1.59
3	A	3104	2947	25.38
4	A	1639	1556	49.97
5	A	1361	1292	1.53
6	A	943	895	16.78
7	A	868	825	0.70
8	A	557	529	16.12
9	A	307	292	59.23
10	E	3602	3420	1.85
10	E	3602	3420	1.85
11	E	3502	3325	0.97
11	E	3502	3325	0.97
12	E	1648	1565	24.58
12	E	1648	1565	24.58
13	E	1425	1353	21.05
13	E	1425	1353	21.05
14	E	1235	1173	51.53
14	E	1235	1173	51.53
15	E	1060	1006	37.63
15	E	1060	1006	37.63
16	E	908	862	217.69
16	E	908	862	217.69
17	E	443	421	38.59
17	E	443	421	38.59
18	E	268	255	20.16
18	E	268	255	20.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.462
N3	0.000	1.392	-0.053
N4	1.205	-0.696	-0.053
N5	-1.205	-0.696	-0.053
H6	0.885	1.813	0.209
H7	1.128	-1.673	0.209
H8	-2.013	-0.141	0.209
H9	-0.043	1.427	-1.067
H10	1.257	-0.676	-1.067
H11	-1.214	-0.751	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0902	1.4552	1.4552	1.4552	2.0241	2.0241	2.0241	2.0266	2.0266	2.0266
H2	1.0902		2.0572	2.0572	2.0572	2.3751	2.3751	2.3751	2.9038	2.9038	2.9038
N3	1.4552	2.0572		2.4106	2.4106	1.0143	3.2760	2.5430	1.0152	2.6237	2.6632
N4	1.4552	2.0572	2.4106		2.4106	2.5430	1.0143	3.2760	2.6632	1.0152	2.6237
N5	1.4552	2.0572	2.4106	2.4106		3.2760	2.5430	1.0143	2.6237	2.6632	1.0152
H6	2.0241	2.3751	1.0143	2.5430	3.2760		3.4944	3.4944	1.6239	2.8216	3.5505
H7	2.0241	2.3751	3.2760	1.0143	2.5430	3.4944		3.4945	3.5505	1.6239	2.8216
H8	2.0241	2.3751	2.5430	3.2760	1.0143	3.4944	3.4945		2.8216	3.5505	1.6239
H9	2.0266	2.9038	1.0152	2.6632	2.6237	1.6239	3.5505	2.8216		2.4726	2.4726
H10	2.0266	2.9038	2.6237	1.0152	2.6632	2.8216	1.6239	3.5505	2.4726		2.4726
H11	2.0266	2.9038	2.6632	2.6237	1.0152	3.5505	2.8216	1.6239	2.4726	2.4726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.789	C1	N3	H9	108.942
C1	N4	H7	108.789	C1	N4	H10	108.942
C1	N5	H8	108.789	C1	N5	H11	108.942
H2	C1	N3	106.976	H2	C1	N4	106.976
H2	C1	N5	106.976	N3	C1	N4	111.847
N3	C1	N5	111.847	N4	C1	N5	111.847
H6	N3	H9	106.294	H7	N4	H10	106.294
H8	N5	H11	106.294

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)