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	hartrees
Energy at 0K	-204.571691
Energy at 298.15K	-204.581736
HF Energy	-204.121181
Nuclear repulsion energy	135.194092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3444	3310	7.18
2	A	3339	3209	16.72
3	A	3076	2957	29.15
4	A	1734	1666	41.28
5	A	1392	1337	1.30
6	A	950	913	15.19
7	A	805	773	0.25
8	A	533	512	35.48
9	A	314	302	83.78
10	E	3444	3310	1.56
10	E	3444	3310	1.56
11	E	3341	3211	2.59
11	E	3341	3211	2.59
12	E	1737	1670	13.41
12	E	1737	1670	13.41
13	E	1438	1382	15.82
13	E	1438	1382	15.82
14	E	1232	1184	38.97
14	E	1232	1184	38.97
15	E	1053	1012	42.99
15	E	1053	1012	42.99
16	E	843	811	286.99
16	E	843	811	286.99
17	E	421	405	50.18
17	E	421	405	50.18
18	E	285	274	28.93
18	E	285	274	28.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.378
H2	0.000	0.000	1.474
N3	0.000	1.424	-0.061
N4	1.233	-0.712	-0.061
N5	-1.233	-0.712	-0.061
H6	0.860	1.882	0.266
H7	1.200	-1.686	0.266
H8	-2.060	-0.196	0.266
H9	-0.027	1.473	-1.090
H10	1.289	-0.713	-1.090
H11	-1.262	-0.760	-1.090

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0962	1.4896	1.4896	1.4896	2.0723	2.0723	2.0723	2.0798	2.0798	2.0798
H2	1.0962		2.0933	2.0933	2.0933	2.3963	2.3963	2.3963	2.9572	2.9572	2.9572
N3	1.4896	2.0933		2.4656	2.4656	1.0280	3.3488	2.6405	1.0307	2.6993	2.7241
N4	1.4896	2.0933	2.4656		2.4656	2.6405	1.0280	3.3488	2.7241	1.0307	2.6993
N5	1.4896	2.0933	2.4656	2.4656		3.3488	2.6405	1.0280	2.6993	2.7241	1.0307
H6	2.0723	2.3963	1.0280	2.6405	3.3488		3.5840	3.5840	1.6711	2.9589	3.6501
H7	2.0723	2.3963	3.3488	1.0280	2.6405	3.5840		3.5840	3.6501	1.6711	2.9589
H8	2.0723	2.3963	2.6405	3.3488	1.0280	3.5840	3.5840		2.9589	3.6501	1.6711
H9	2.0798	2.9572	1.0307	2.7241	2.6993	1.6711	3.6501	2.9589		2.5520	2.5520
H10	2.0798	2.9572	2.6993	1.0307	2.7241	2.9589	1.6711	3.6501	2.5520		2.5520
H11	2.0798	2.9572	2.7241	2.6993	1.0307	3.6501	2.9589	1.6711	2.5520	2.5520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.428	C1	N3	H9	109.882
C1	N4	H7	109.428	C1	N4	H10	109.882
C1	N5	H8	109.428	C1	N5	H11	109.882
H2	C1	N3	107.127	H2	C1	N4	107.127
H2	C1	N5	107.127	N3	C1	N4	111.710
N3	C1	N5	111.710	N4	C1	N5	111.710
H6	N3	H9	108.522	H7	N4	H10	108.522
H8	N5	H11	108.522

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)