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	hartrees
Energy at 0K	-206.148955
Energy at 298.15K	-206.159255
HF Energy	-205.337966
Nuclear repulsion energy	138.095393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3632	3632	0.06
2	A	3545	3545	4.06
3	A	3118	3118	35.31
4	A	1665	1665	52.48
5	A	1395	1395	1.49
6	A	978	978	16.11
7	A	908	908	0.24
8	A	569	569	22.63
9	A	325	325	67.08
10	E	3633	3633	0.38
10	E	3633	3633	0.38
11	E	3546	3546	0.16
11	E	3546	3546	0.16
12	E	1677	1677	27.55
12	E	1677	1677	27.55
13	E	1459	1459	25.54
13	E	1459	1459	25.54
14	E	1267	1267	57.14
14	E	1267	1267	57.14
15	E	1090	1090	42.41
15	E	1090	1090	42.41
16	E	955	955	206.75
16	E	955	955	206.75
17	E	453	453	39.53
17	E	453	453	39.53
18	E	298	298	20.77
18	E	298	298	20.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.373
H2	0.000	0.000	1.467
N3	0.000	1.393	-0.054
N4	1.206	-0.696	-0.054
N5	-1.206	-0.696	-0.054
H6	0.883	1.812	0.215
H7	1.128	-1.671	0.215
H8	-2.011	-0.141	0.215
H9	-0.032	1.422	-1.069
H10	1.247	-0.683	-1.069
H11	-1.215	-0.739	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0942	1.4569	1.4569	1.4569	2.0220	2.0220	2.0220	2.0256	2.0256	2.0256
H2	1.0942		2.0629	2.0629	2.0629	2.3730	2.3730	2.3730	2.9080	2.9080	2.9080
N3	1.4569	2.0629		2.4122	2.4122	1.0141	3.2757	2.5436	1.0156	2.6258	2.6552
N4	1.4569	2.0629	2.4122		2.4122	2.5436	1.0141	3.2757	2.6552	1.0156	2.6258
N5	1.4569	2.0629	2.4122	2.4122		3.2757	2.5436	1.0141	2.6258	2.6552	1.0156
H6	2.0220	2.3730	1.0141	2.5436	3.2757		3.4915	3.4915	1.6247	2.8300	3.5440
H7	2.0220	2.3730	3.2757	1.0141	2.5436	3.4915		3.4915	3.5440	1.6247	2.8300
H8	2.0220	2.3730	2.5436	3.2757	1.0141	3.4915	3.4915		2.8300	3.5440	1.6247
H9	2.0256	2.9080	1.0156	2.6552	2.6258	1.6247	3.5440	2.8300		2.4634	2.4634
H10	2.0256	2.9080	2.6258	1.0156	2.6552	2.8300	1.6247	3.5440	2.4634		2.4634
H11	2.0256	2.9080	2.6552	2.6258	1.0156	3.5440	2.8300	1.6247	2.4634	2.4634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.501	C1	N3	H9	108.705
C1	N4	H7	108.501	C1	N4	H10	108.705
C1	N5	H8	108.501	C1	N5	H11	108.705
H2	C1	N3	107.067	H2	C1	N4	107.067
H2	C1	N5	107.067	N3	C1	N4	111.764
N3	C1	N5	111.764	N4	C1	N5	111.764
H6	N3	H9	106.348	H7	N4	H10	106.348
H8	N5	H11	106.348

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3=FULL/6-311G**

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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: MP3=FULL/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)