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	hartrees
Energy at 0K	-4344.194168
Energy at 298.15K	-4344.187922
HF Energy	-206.581239
Nuclear repulsion energy	137.498179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3541	3417	0.34
2	A	3454	3333	4.02
3	A	3025	2919	36.30
4	A	1643	1585	42.31
5	A	1358	1311	1.79
6	A	937	904	11.76
7	A	860	829	0.00
8	A	559	539	16.14
9	A	303	292	59.87
10	E	3541	3417	0.16
10	E	3541	3417	0.16
11	E	3457	3336	0.35
11	E	3457	3336	0.35
12	E	1653	1595	20.23
12	E	1653	1595	20.23
13	E	1416	1367	23.30
13	E	1416	1367	23.30
14	E	1220	1177	48.07
14	E	1220	1177	48.08
15	E	1043	1006	42.86
15	E	1043	1006	42.86
16	E	902	870	217.09
16	E	902	870	217.08
17	E	439	424	32.44
17	E	439	424	32.45
18	E	271	262	18.81
18	E	271	262	18.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.466
N3	0.000	1.399	-0.053
N4	1.212	-0.700	-0.053
N5	-1.212	-0.700	-0.053
H6	0.883	1.825	0.221
H7	1.139	-1.677	0.221
H8	-2.022	-0.148	0.221
H9	-0.032	1.443	-1.071
H10	1.266	-0.694	-1.071
H11	-1.233	-0.749	-1.071

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0980	1.4612	1.4612	1.4612	2.0327	2.0327	2.0327	2.0378	2.0378	2.0378
H2	1.0980		2.0653	2.0653	2.0653	2.3791	2.3791	2.3791	2.9185	2.9185	2.9185
N3	1.4612	2.0653		2.4236	2.4236	1.0179	3.2920	2.5607	1.0190	2.6490	2.6784
N4	1.4612	2.0653	2.4236		2.4236	2.5607	1.0179	3.2920	2.6784	1.0190	2.6490
N5	1.4612	2.0653	2.4236	2.4236		3.2920	2.5607	1.0179	2.6490	2.6784	1.0190
H6	2.0327	2.3791	1.0179	2.5607	3.2920		3.5116	3.5116	1.6286	2.8563	3.5743
H7	2.0327	2.3791	3.2920	1.0179	2.5607	3.5116		3.5116	3.5743	1.6286	2.8563
H8	2.0327	2.3791	2.5607	3.2920	1.0179	3.5116	3.5116		2.8563	3.5743	1.6286
H9	2.0378	2.9185	1.0190	2.6784	2.6490	1.6286	3.5743	2.8563		2.4998	2.4998
H10	2.0378	2.9185	2.6490	1.0190	2.6784	2.8563	1.6286	3.5743	2.4998		2.4998
H11	2.0378	2.9185	2.6784	2.6490	1.0190	3.5743	2.8563	1.6286	2.4998	2.4998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.805	C1	N3	H9	109.134
C1	N4	H7	108.806	C1	N4	H10	109.134
C1	N5	H8	108.805	C1	N5	H11	109.134
H2	C1	N3	106.698	H2	C1	N4	106.698
H2	C1	N5	106.698	N3	C1	N4	112.096
N3	C1	N5	112.096	N4	C1	N5	112.096
H6	N3	H9	106.132	H7	N4	H10	106.132
H8	N5	H11	106.132

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: G4

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	0.070
2	H	0.097
3	N	-0.491
4	N	-0.491
5	N	-0.491
6	H	0.230
7	H	0.230
8	H	0.230
9	H	0.206
10	H	0.206
11	H	0.206

<r²>	82.132
(<r²>)^1/2	9.063

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: G4

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)