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	hartrees
Energy at 0K	-206.474221
Energy at 298.15K	-206.484430
HF Energy	-206.474221
Nuclear repulsion energy	137.960550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3421	0.01
2	A	3494	3321	3.75
3	A	3091	2938	38.55
4	A	1649	1567	53.17
5	A	1368	1301	1.79
6	A	948	901	13.88
7	A	893	849	0.08
8	A	566	538	23.15
9	A	311	295	75.66
10	E	3600	3421	0.83
10	E	3600	3421	0.84
11	E	3498	3324	0.07
11	E	3498	3324	0.07
12	E	1662	1580	27.98
12	E	1662	1580	27.87
13	E	1426	1355	30.88
13	E	1426	1355	30.63
14	E	1238	1176	67.58
14	E	1237	1176	68.11
15	E	1064	1011	38.95
15	E	1064	1011	38.59
16	E	920	875	239.82
16	E	920	875	239.20
17	E	453	431	39.82
17	E	453	431	39.88
18	E	296	281	22.04
18	E	295	281	22.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.465
N3	0.000	1.393	-0.055
N4	1.206	-0.696	-0.055
N5	-1.206	-0.696	-0.055
H6	0.877	1.820	0.233
H7	1.138	-1.670	0.233
H8	-2.015	-0.150	0.233
H9	-0.017	1.430	-1.074
H10	1.247	-0.701	-1.074
H11	-1.230	-0.730	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0962	1.4558	1.4558	1.4558	2.0254	2.0254	2.0254	2.0311	2.0311	2.0311
H2	1.0962		2.0613	2.0613	2.0613	2.3665	2.3665	2.3665	2.9135	2.9135	2.9135
N3	1.4558	2.0613		2.4125	2.4125	1.0176	3.2801	2.5546	1.0194	2.6412	2.6563
N4	1.4558	2.0613	2.4125		2.4125	2.5546	1.0176	3.2801	2.6563	1.0194	2.6412
N5	1.4558	2.0613	2.4125	2.4125		3.2801	2.5546	1.0176	2.6412	2.6563	1.0194
H6	2.0254	2.3665	1.0176	2.5546	3.2801		3.5002	3.5002	1.6306	2.8638	3.5571
H7	2.0254	2.3665	3.2801	1.0176	2.5546	3.5002		3.5002	3.5571	1.6306	2.8638
H8	2.0254	2.3665	2.5546	3.2801	1.0176	3.5002	3.5002		2.8638	3.5571	1.6306
H9	2.0311	2.9135	1.0194	2.6563	2.6412	1.6306	3.5571	2.8638		2.4776	2.4776
H10	2.0311	2.9135	2.6412	1.0194	2.6563	2.8638	1.6306	3.5571	2.4776		2.4776
H11	2.0311	2.9135	2.6563	2.6412	1.0194	3.5571	2.8638	1.6306	2.4776	2.4776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.648	C1	N3	H9	109.009
C1	N4	H7	108.648	C1	N4	H10	109.009
C1	N5	H8	108.648	C1	N5	H11	109.009
H2	C1	N3	106.905	H2	C1	N4	106.905
H2	C1	N5	106.905	N3	C1	N4	111.911
N3	C1	N5	111.911	N4	C1	N5	111.911
H6	N3	H9	106.349	H7	N4	H10	106.349
H8	N5	H11	106.349

All results from a given calculation for CH₇N₃ (triaminomethane)

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

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	0.207
2	H	0.136
3	N	-0.618
4	N	-0.618
5	N	-0.618
6	H	0.267
7	H	0.267
8	H	0.267
9	H	0.236
10	H	0.236
11	H	0.236

	x	y	z
x	4.891	0.002	-0.001
y	0.002	4.889	0.000
z	-0.001	0.000	4.928

<r²>	81.704
(<r²>)^1/2	9.039

All results from a given calculation for CH7N3 (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)