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	hartrees
Energy at 0K	-206.003207
Energy at 298.15K	-206.013487
HF Energy	-205.295949
Nuclear repulsion energy	137.612364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3595	3380	0.47
2	A	3503	3294	6.21
3	A	3108	2922	39.94
4	A	1661	1562	41.60
5	A	1396	1312	0.62
6	A	991	932	7.03
7	A	907	853	2.25
8	A	563	529	22.16
9	A	307	289	69.26
10	E	3595	3380	0.10
10	E	3595	3380	0.10
11	E	3507	3298	0.05
11	E	3507	3298	0.05
12	E	1674	1574	20.64
12	E	1674	1574	20.64
13	E	1447	1360	30.76
13	E	1447	1360	30.76
14	E	1260	1185	61.06
14	E	1260	1185	61.06
15	E	1094	1029	38.07
15	E	1094	1029	38.07
16	E	976	917	184.18
16	E	976	917	184.18
17	E	449	422	36.27
17	E	449	422	36.27
18	E	300	282	18.18
18	E	300	282	18.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.473
N3	0.000	1.398	-0.056
N4	1.210	-0.699	-0.056
N5	-1.210	-0.699	-0.056
H6	0.889	1.809	0.237
H7	1.122	-1.675	0.237
H8	-2.011	-0.134	0.237
H9	0.034	1.413	-1.080
H10	1.206	-0.736	-1.080
H11	-1.240	-0.677	-1.080

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1036	1.4610	1.4610	1.4610	2.0201	2.0201	2.0201	2.0242	2.0242	2.0242
H2	1.1036		2.0715	2.0715	2.0715	2.3645	2.3645	2.3645	2.9179	2.9179	2.9179
N3	1.4610	2.0715		2.4209	2.4209	1.0226	3.2838	2.5451	1.0247	2.6562	2.6250
N4	1.4610	2.0715	2.4209		2.4209	2.5451	1.0226	3.2838	2.6250	1.0247	2.6562
N5	1.4610	2.0715	2.4209	2.4209		3.2838	2.5451	1.0226	2.6562	2.6250	1.0247
H6	2.0201	2.3645	1.0226	2.5451	3.2838		3.4913	3.4913	1.6195	2.8827	3.5282
H7	2.0201	2.3645	3.2838	1.0226	2.5451	3.4913		3.4913	3.5282	1.6195	2.8827
H8	2.0201	2.3645	2.5451	3.2838	1.0226	3.4913	3.4913		2.8827	3.5282	1.6195
H9	2.0242	2.9179	1.0247	2.6250	2.6562	1.6195	3.5282	2.8827		2.4473	2.4473
H10	2.0242	2.9179	2.6562	1.0247	2.6250	2.8827	1.6195	3.5282	2.4473		2.4473
H11	2.0242	2.9179	2.6250	2.6562	1.0247	3.5282	2.8827	1.6195	2.4473	2.4473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	107.538	C1	N3	H9	107.746
C1	N4	H7	107.538	C1	N4	H10	107.746
C1	N5	H8	107.538	C1	N5	H11	107.746
H2	C1	N3	106.925	H2	C1	N4	106.925
H2	C1	N5	106.925	N3	C1	N4	111.893
N3	C1	N5	111.893	N4	C1	N5	111.893
H6	N3	H9	104.559	H7	N4	H10	104.559
H8	N5	H11	104.559

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)