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	hartrees
Energy at 0K	-206.488557
Energy at 298.15K	-206.498728
HF Energy	-206.488557
Nuclear repulsion energy	137.782026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3619	3446	3.67
2	A	3514	3346	1.63
3	A	3096	2948	29.72
4	A	1650	1571	68.58
5	A	1351	1286	3.11
6	A	925	881	15.12
7	A	866	825	12.85
8	A	568	541	16.94
9	A	325	310	68.29
10	E	3619	3446	3.75
10	E	3619	3446	3.78
11	E	3518	3350	0.86
11	E	3518	3350	0.85
12	E	1660	1581	40.47
12	E	1660	1581	40.46
13	E	1416	1348	31.04
13	E	1416	1348	30.81
14	E	1225	1167	71.31
14	E	1225	1167	71.93
15	E	1054	1004	49.17
15	E	1054	1003	48.86
16	E	884	842	232.87
16	E	884	842	232.45
17	E	454	432	43.41
17	E	454	432	43.49
18	E	284	271	26.95
18	E	284	271	27.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.367
H2	0.000	0.000	1.463
N3	0.000	1.393	-0.055
N4	1.206	-0.696	-0.055
N5	-1.206	-0.696	-0.055
H6	0.866	1.841	0.234
H7	1.161	-1.670	0.234
H8	-2.027	-0.171	0.234
H9	-0.059	1.458	-1.070
H10	1.292	-0.678	-1.070
H11	-1.233	-0.780	-1.070

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0955	1.4555	1.4555	1.4555	2.0387	2.0387	2.0387	2.0478	2.0478	2.0478
H2	1.0955		2.0601	2.0601	2.0601	2.3765	2.3765	2.3765	2.9226	2.9226	2.9226
N3	1.4555	2.0601		2.4125	2.4125	1.0168	3.2886	2.5764	1.0182	2.6435	2.6963
N4	1.4555	2.0601	2.4125		2.4125	2.5764	1.0168	3.2886	2.6963	1.0182	2.6435
N5	1.4555	2.0601	2.4125	2.4125		3.2886	2.5764	1.0168	2.6435	2.6963	1.0182
H6	2.0387	2.3765	1.0168	2.5764	3.2886		3.5235	3.5235	1.6433	2.8684	3.6019
H7	2.0387	2.3765	3.2886	1.0168	2.5764	3.5235		3.5235	3.6019	1.6433	2.8684
H8	2.0387	2.3765	2.5764	3.2886	1.0168	3.5235	3.5235		2.8684	3.6019	1.6433
H9	2.0478	2.9226	1.0182	2.6963	2.6435	1.6433	3.6019	2.8684		2.5273	2.5273
H10	2.0478	2.9226	2.6435	1.0182	2.6963	2.8684	1.6433	3.6019	2.5273		2.5273
H11	2.0478	2.9226	2.6963	2.6435	1.0182	3.6019	2.8684	1.6433	2.5273	2.5273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.823	C1	N3	H9	110.510
C1	N4	H7	109.823	C1	N4	H10	110.510
C1	N5	H8	109.823	C1	N5	H11	110.510
H2	C1	N3	106.871	H2	C1	N4	106.871
H2	C1	N5	106.871	N3	C1	N4	111.942
N3	C1	N5	111.942	N4	C1	N5	111.942
H6	N3	H9	107.710	H7	N4	H10	107.710
H8	N5	H11	107.710

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: M06-2X/6-31+G**

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	-0.036
2	H	0.155
3	N	-0.647
4	N	-0.647
5	N	-0.647
6	H	0.315
7	H	0.315
8	H	0.315
9	H	0.293
10	H	0.293
11	H	0.293

	x	y	z
x	6.100	0.001	-0.002
y	0.001	6.102	-0.000
z	-0.002	-0.000	5.600

<r²>	82.664
(<r²>)^1/2	9.092

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)