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	hartrees
Energy at 0K	-206.067649
Energy at 298.15K	-206.077737
HF Energy	-205.317150
Nuclear repulsion energy	137.088927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3562	3562	0.39
2	A	3466	3466	4.06
3	A	3079	3079	26.49
4	A	1642	1642	45.27
5	A	1358	1358	0.97
6	A	938	938	17.37
7	A	869	869	0.59
8	A	550	550	13.47
9	A	294	294	62.04
10	E	3562	3562	0.64
10	E	3562	3562	0.64
11	E	3469	3469	0.94
11	E	3469	3469	0.94
12	E	1653	1653	26.00
12	E	1653	1653	26.00
13	E	1423	1423	22.62
13	E	1423	1423	22.62
14	E	1230	1230	51.44
14	E	1230	1230	51.44
15	E	1061	1061	36.78
15	E	1061	1061	36.78
16	E	911	911	179.83
16	E	911	911	179.83
17	E	441	441	36.61
17	E	441	441	36.61
18	E	261	261	18.67
18	E	261	261	18.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.475
N3	0.000	1.402	-0.055
N4	1.214	-0.701	-0.055
N5	-1.214	-0.701	-0.055
H6	0.883	1.834	0.225
H7	1.146	-1.682	0.225
H8	-2.030	-0.152	0.225
H9	-0.030	1.445	-1.077
H10	1.267	-0.697	-1.077
H11	-1.237	-0.748	-1.077

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1027	1.4655	1.4655	1.4655	2.0405	2.0405	2.0405	2.0466	2.0466	2.0466
H2	1.1027		2.0748	2.0748	2.0748	2.3883	2.3883	2.3883	2.9324	2.9324	2.9324
N3	1.4655	2.0748		2.4285	2.4285	1.0220	3.3018	2.5714	1.0233	2.6560	2.6831
N4	1.4655	2.0748	2.4285		2.4285	2.5714	1.0220	3.3018	2.6831	1.0233	2.6560
N5	1.4655	2.0748	2.4285	2.4285		3.3018	2.5714	1.0220	2.6560	2.6831	1.0233
H6	2.0405	2.3883	1.0220	2.5714	3.3018		3.5251	3.5251	1.6365	2.8713	3.5855
H7	2.0405	2.3883	3.3018	1.0220	2.5714	3.5251		3.5251	3.5855	1.6365	2.8713
H8	2.0405	2.3883	2.5714	3.3018	1.0220	3.5251	3.5251		2.8713	3.5855	1.6365
H9	2.0466	2.9324	1.0233	2.6831	2.6560	1.6365	3.5855	2.8713		2.5040	2.5040
H10	2.0466	2.9324	2.6560	1.0233	2.6831	2.8713	1.6365	3.5855	2.5040		2.5040
H11	2.0466	2.9324	2.6831	2.6560	1.0233	3.5855	2.8713	1.6365	2.5040	2.5040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.924	C1	N3	H9	109.343
C1	N4	H7	108.924	C1	N4	H10	109.343
C1	N5	H8	108.924	C1	N5	H11	109.343
H2	C1	N3	106.924	H2	C1	N4	106.924
H2	C1	N5	106.924	N3	C1	N4	111.894
N3	C1	N5	111.894	N4	C1	N5	111.894
H6	N3	H9	106.285	H7	N4	H10	106.285
H8	N5	H11	106.285

All results from a given calculation for CH₇N₃ (triaminomethane)

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

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)