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	hartrees
Energy at 0K	-206.029684
Energy at 298.15K	-206.039744
HF Energy	-205.317322
Nuclear repulsion energy	137.264843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3580	3469	2.84
2	A	3469	3362	2.49
3	A	3102	3006	22.94
4	A	1621	1571	48.72
5	A	1342	1301	0.86
6	A	927	898	16.79
7	A	853	827	3.02
8	A	548	531	12.60
9	A	299	290	60.58
10	E	3581	3470	2.02
10	E	3581	3470	2.02
11	E	3475	3368	0.90
11	E	3475	3368	0.90
12	E	1632	1581	26.99
12	E	1632	1581	26.99
13	E	1409	1366	20.30
13	E	1409	1366	20.30
14	E	1221	1183	53.90
14	E	1221	1183	53.90
15	E	1051	1018	36.97
15	E	1051	1018	36.97
16	E	886	859	190.45
16	E	886	859	190.45
17	E	439	425	39.18
17	E	439	425	39.18
18	E	260	252	19.28
18	E	260	252	19.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.473
N3	0.000	1.400	-0.054
N4	1.212	-0.700	-0.054
N5	-1.212	-0.700	-0.054
H6	0.885	1.832	0.219
H7	1.144	-1.683	0.219
H8	-2.029	-0.149	0.219
H9	-0.041	1.444	-1.075
H10	1.271	-0.686	-1.075
H11	-1.230	-0.757	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1013	1.4630	1.4630	1.4630	2.0401	2.0401	2.0401	2.0443	2.0443	2.0443
H2	1.1013		2.0714	2.0714	2.0714	2.3899	2.3899	2.3899	2.9290	2.9290	2.9290
N3	1.4630	2.0714		2.4244	2.4244	1.0221	3.2989	2.5670	1.0231	2.6476	2.6848
N4	1.4630	2.0714	2.4244		2.4244	2.5670	1.0221	3.2989	2.6848	1.0231	2.6476
N5	1.4630	2.0714	2.4244	2.4244		3.2989	2.5670	1.0221	2.6476	2.6848	1.0231
H6	2.0401	2.3899	1.0221	2.5670	3.2989		3.5236	3.5236	1.6380	2.8571	3.5848
H7	2.0401	2.3899	3.2989	1.0221	2.5670	3.5236		3.5236	3.5848	1.6380	2.8571
H8	2.0401	2.3899	2.5670	3.2989	1.0221	3.5236	3.5236		2.8571	3.5848	1.6380
H9	2.0443	2.9290	1.0231	2.6848	2.6476	1.6380	3.5848	2.8571		2.5015	2.5015
H10	2.0443	2.9290	2.6476	1.0231	2.6848	2.8571	1.6380	3.5848	2.5015		2.5015
H11	2.0443	2.9290	2.6848	2.6476	1.0231	3.5848	2.8571	1.6380	2.5015	2.5015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.066	C1	N3	H9	109.358
C1	N4	H7	109.066	C1	N4	H10	109.358
C1	N5	H8	109.066	C1	N5	H11	109.358
H2	C1	N3	106.911	H2	C1	N4	106.911
H2	C1	N5	106.911	N3	C1	N4	111.906
N3	C1	N5	111.906	N4	C1	N5	111.906
H6	N3	H9	106.435	H7	N4	H10	106.435
H8	N5	H11	106.435

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)