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	hartrees
Energy at 0K	-206.574662
Energy at 298.15K	-206.584781
HF Energy	-206.574662
Nuclear repulsion energy	137.392899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3547	3408	1.50
2	A	3453	3318	7.17
3	A	3047	2927	38.58
4	A	1651	1587	45.85
5	A	1364	1310	1.57
6	A	938	901	12.52
7	A	865	832	0.00
8	A	553	531	19.76
9	A	311	299	72.06
10	E	3547	3408	0.30
10	E	3547	3408	0.30
11	E	3455	3320	0.96
11	E	3455	3320	0.96
12	E	1663	1598	20.72
12	E	1663	1598	20.71
13	E	1423	1367	27.11
13	E	1423	1367	27.11
14	E	1221	1173	55.16
14	E	1221	1173	55.16
15	E	1044	1003	48.09
15	E	1044	1003	48.09
16	E	905	869	234.34
16	E	905	869	234.33
17	E	441	423	36.94
17	E	441	423	36.94
18	E	282	271	20.36
18	E	282	271	20.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.463
N3	0.000	1.400	-0.054
N4	1.213	-0.700	-0.054
N5	-1.213	-0.700	-0.054
H6	0.878	1.829	0.235
H7	1.145	-1.675	0.235
H8	-2.023	-0.154	0.235
H9	-0.015	1.445	-1.074
H10	1.259	-0.710	-1.074
H11	-1.244	-0.735	-1.074

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0976	1.4620	1.4620	1.4620	2.0331	2.0331	2.0331	2.0399	2.0399	2.0399
H2	1.0976		2.0649	2.0649	2.0649	2.3715	2.3715	2.3715	2.9199	2.9199	2.9199
N3	1.4620	2.0649		2.4256	2.4256	1.0194	3.2945	2.5676	1.0208	2.6605	2.6738
N4	1.4620	2.0649	2.4256		2.4256	2.5676	1.0194	3.2945	2.6738	1.0208	2.6605
N5	1.4620	2.0649	2.4256	2.4256		3.2945	2.5676	1.0194	2.6605	2.6738	1.0208
H6	2.0331	2.3715	1.0194	2.5676	3.2945		3.5143	3.5143	1.6309	2.8820	3.5771
H7	2.0331	2.3715	3.2945	1.0194	2.5676	3.5143		3.5143	3.5771	1.6309	2.8820
H8	2.0331	2.3715	2.5676	3.2945	1.0194	3.5143	3.5143		2.8820	3.5771	1.6309
H9	2.0399	2.9199	1.0208	2.6738	2.6605	1.6309	3.5771	2.8820		2.5032	2.5032
H10	2.0399	2.9199	2.6605	1.0208	2.6738	2.8820	1.6309	3.5771	2.5032		2.5032
H11	2.0399	2.9199	2.6738	2.6605	1.0208	3.5771	2.8820	1.6309	2.5032	2.5032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.726	C1	N3	H9	109.199
C1	N4	H7	108.725	C1	N4	H10	109.199
C1	N5	H8	108.726	C1	N5	H11	109.199
H2	C1	N3	106.689	H2	C1	N4	106.689
H2	C1	N5	106.689	N3	C1	N4	112.105
N3	C1	N5	112.105	N4	C1	N5	112.105
H6	N3	H9	106.135	H7	N4	H10	106.135
H8	N5	H11	106.135

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B3LYPultrafine/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	0.235
2	H	0.113
3	N	-0.576
4	N	-0.576
5	N	-0.576
6	H	0.244
7	H	0.244
8	H	0.244
9	H	0.217
10	H	0.217
11	H	0.217

<r²>	82.327
(<r²>)^1/2	9.073

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)