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	hartrees
Energy at 0K	-206.143454
Energy at 298.15K	-206.153701
HF Energy	-205.303228
Nuclear repulsion energy	138.445106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3655	0.67
2	A	3563	3563	0.72
3	A	3143	3143	28.46
4	A	1690	1690	49.68
5	A	1397	1397	2.12
6	A	975	975	12.12
7	A	905	905	0.08
8	A	566	566	18.99
9	A	312	312	69.75
10	E	3655	3655	1.51
10	E	3655	3655	1.51
11	E	3566	3566	0.84
11	E	3566	3566	0.84
12	E	1702	1702	27.24
12	E	1702	1702	27.24
13	E	1466	1466	25.73
13	E	1466	1466	25.73
14	E	1269	1269	58.76
14	E	1269	1269	58.76
15	E	1093	1093	31.95
15	E	1093	1093	31.95
16	E	953	953	215.74
16	E	953	953	215.74
17	E	454	454	36.14
17	E	454	454	36.14
18	E	288	288	19.91
18	E	288	288	19.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.461
N3	0.000	1.389	-0.055
N4	1.203	-0.694	-0.055
N5	-1.203	-0.694	-0.055
H6	0.878	1.811	0.222
H7	1.129	-1.665	0.222
H8	-2.007	-0.145	0.222
H9	-0.017	1.420	-1.068
H10	1.239	-0.695	-1.068
H11	-1.221	-0.725	-1.068

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0902	1.4527	1.4527	1.4527	2.0176	2.0176	2.0176	2.0219	2.0219	2.0219
H2	1.0902		2.0562	2.0562	2.0562	2.3632	2.3632	2.3632	2.9007	2.9007	2.9007
N3	1.4527	2.0562		2.4055	2.4055	1.0122	3.2679	2.5411	1.0134	2.6274	2.6432
N4	1.4527	2.0562	2.4055		2.4055	2.5411	1.0122	3.2679	2.6432	1.0134	2.6274
N5	1.4527	2.0562	2.4055	2.4055		3.2679	2.5411	1.0122	2.6274	2.6432	1.0134
H6	2.0176	2.3632	1.0122	2.5411	3.2679		3.4849	3.4849	1.6173	2.8411	3.5352
H7	2.0176	2.3632	3.2679	1.0122	2.5411	3.4849		3.4849	3.5352	1.6173	2.8411
H8	2.0176	2.3632	2.5411	3.2679	1.0122	3.4849	3.4849		2.8411	3.5352	1.6173
H9	2.0219	2.9007	1.0134	2.6432	2.6274	1.6173	3.5352	2.8411		2.4602	2.4602
H10	2.0219	2.9007	2.6274	1.0134	2.6432	2.8411	1.6173	3.5352	2.4602		2.4602
H11	2.0219	2.9007	2.6432	2.6274	1.0134	3.5352	2.8411	1.6173	2.4602	2.4602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.551	C1	N3	H9	108.833
C1	N4	H7	108.551	C1	N4	H10	108.833
C1	N5	H8	108.551	C1	N5	H11	108.833
H2	C1	N3	107.056	H2	C1	N4	107.056
H2	C1	N5	107.056	N3	C1	N4	111.775
N3	C1	N5	111.775	N4	C1	N5	111.775
H6	N3	H9	105.959	H7	N4	H10	105.959
H8	N5	H11	105.959

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)