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	hartrees
Energy at 0K	-205.302940
Energy at 298.15K	-205.312853
HF Energy	-205.302940
Nuclear repulsion energy	136.841435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3532	3372	1.97
2	A	3417	3262	8.60
3	A	3112	2971	35.03
4	A	1706	1629	49.58
5	A	1366	1304	2.68
6	A	907	866	16.79
7	A	762	728	16.14
8	A	539	515	25.44
9	A	310	296	72.14
10	E	3531	3372	0.21
10	E	3531	3372	0.21
11	E	3421	3266	2.08
11	E	3421	3266	2.08
12	E	1710	1633	18.50
12	E	1710	1633	18.50
13	E	1422	1358	17.43
13	E	1422	1358	17.43
14	E	1225	1170	46.44
14	E	1225	1170	46.43
15	E	1039	992	36.18
15	E	1039	992	36.16
16	E	754	720	332.59
16	E	754	720	332.58
17	E	418	400	65.38
17	E	418	400	65.38
18	E	273	261	32.63
18	E	273	261	32.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.375
H2	0.000	0.000	1.466
N3	0.000	1.400	-0.059
N4	1.212	-0.700	-0.059
N5	-1.212	-0.700	-0.059
H6	0.846	1.880	0.255
H7	1.205	-1.672	0.255
H8	-2.051	-0.207	0.255
H9	-0.082	1.472	-1.077
H10	1.316	-0.665	-1.077
H11	-1.234	-0.807	-1.077

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0912	1.4658	1.4658	1.4658	2.0647	2.0647	2.0647	2.0694	2.0694	2.0694
H2	1.0912		2.0706	2.0706	2.0706	2.3906	2.3906	2.3906	2.9398	2.9398	2.9398
N3	1.4658	2.0706		2.4249	2.4249	1.0219	3.3151	2.6246	1.0238	2.6516	2.7258
N4	1.4658	2.0706	2.4249		2.4249	2.6246	1.0219	3.3151	2.7258	1.0238	2.6516
N5	1.4658	2.0706	2.4249	2.4249		3.3151	2.6246	1.0219	2.6516	2.7258	1.0238
H6	2.0647	2.3906	1.0219	2.6246	3.3151		3.5701	3.5701	1.6742	2.9105	3.6495
H7	2.0647	2.3906	3.3151	1.0219	2.6246	3.5701		3.5701	3.6495	1.6742	2.9105
H8	2.0647	2.3906	2.6246	3.3151	1.0219	3.5701	3.5701		2.9105	3.6495	1.6742
H9	2.0694	2.9398	1.0238	2.7258	2.6516	1.6742	3.6495	2.9105		2.5535	2.5535
H10	2.0694	2.9398	2.6516	1.0238	2.7258	2.9105	1.6742	3.6495	2.5535		2.5535
H11	2.0694	2.9398	2.7258	2.6516	1.0238	3.6495	2.9105	1.6742	2.5535	2.5535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.922	C1	N3	H9	111.205
C1	N4	H7	110.922	C1	N4	H10	111.205
C1	N5	H8	110.922	C1	N5	H11	111.205
H2	C1	N3	107.235	H2	C1	N4	107.235
H2	C1	N5	107.235	N3	C1	N4	111.612
N3	C1	N5	111.612	N4	C1	N5	111.612
H6	N3	H9	109.854	H7	N4	H10	109.854
H8	N5	H11	109.854

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B1B95/3-21G*

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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Number	Element	Mulliken
1	C	0.180
2	H	0.248
3	N	-0.684
4	N	-0.684
5	N	-0.684
6	H	0.284
7	H	0.284
8	H	0.284
9	H	0.257
10	H	0.257
11	H	0.257

<r²>	82.669
(<r²>)^1/2	9.092

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)