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	hartrees
Energy at 0K	-206.001965
Energy at 298.15K	-206.012225
HF Energy	-205.295218
Nuclear repulsion energy	137.333649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3553	3408	1.13
2	A	3460	3320	7.74
3	A	3076	2951	40.91
4	A	1652	1585	40.60
5	A	1388	1332	0.47
6	A	990	950	6.40
7	A	898	861	2.60
8	A	560	537	22.07
9	A	306	294	67.07
10	E	3552	3408	0.16
10	E	3552	3408	0.16
11	E	3464	3323	0.40
11	E	3464	3323	0.40
12	E	1665	1598	18.60
12	E	1665	1598	18.60
13	E	1437	1378	30.19
13	E	1437	1378	30.19
14	E	1251	1200	58.96
14	E	1251	1200	58.96
15	E	1086	1042	38.54
15	E	1086	1042	38.54
16	E	972	932	181.96
16	E	972	932	181.96
17	E	445	427	35.34
17	E	445	427	35.34
18	E	299	287	17.94
18	E	299	287	17.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.477
N3	0.000	1.400	-0.055
N4	1.213	-0.700	-0.055
N5	-1.213	-0.700	-0.055
H6	0.894	1.811	0.236
H7	1.121	-1.679	0.236
H8	-2.015	-0.131	0.236
H9	0.034	1.414	-1.082
H10	1.207	-0.737	-1.082
H11	-1.242	-0.677	-1.082

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1064	1.4637	1.4637	1.4637	2.0237	2.0237	2.0237	2.0275	2.0275	2.0275
H2	1.1064		2.0758	2.0758	2.0758	2.3700	2.3700	2.3700	2.9240	2.9240	2.9240
N3	1.4637	2.0758		2.4255	2.4255	1.0258	3.2904	2.5477	1.0277	2.6607	2.6291
N4	1.4637	2.0758	2.4255		2.4255	2.5477	1.0258	3.2904	2.6291	1.0277	2.6607
N5	1.4637	2.0758	2.4255	2.4255		3.2904	2.5477	1.0258	2.6607	2.6291	1.0277
H6	2.0237	2.3700	1.0258	2.5477	3.2904		3.4974	3.4974	1.6231	2.8853	3.5337
H7	2.0237	2.3700	3.2904	1.0258	2.5477	3.4974		3.4974	3.5337	1.6231	2.8853
H8	2.0237	2.3700	2.5477	3.2904	1.0258	3.4974	3.4974		2.8853	3.5337	1.6231
H9	2.0275	2.9240	1.0277	2.6291	2.6607	1.6231	3.5337	2.8853		2.4494	2.4494
H10	2.0275	2.9240	2.6607	1.0277	2.6291	2.8853	1.6231	3.5337	2.4494		2.4494
H11	2.0275	2.9240	2.6291	2.6607	1.0277	3.5337	2.8853	1.6231	2.4494	2.4494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	107.455	C1	N3	H9	107.650
C1	N4	H7	107.455	C1	N4	H10	107.650
C1	N5	H8	107.455	C1	N5	H11	107.650
H2	C1	N3	106.915	H2	C1	N4	106.915
H2	C1	N5	106.915	N3	C1	N4	111.902
N3	C1	N5	111.902	N4	C1	N5	111.902
H6	N3	H9	104.448	H7	N4	H10	104.448
H8	N5	H11	104.448

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)