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	hartrees
Energy at 0K	-206.020688
Energy at 298.15K	-206.030916
HF Energy	-205.294345
Nuclear repulsion energy	137.109645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3523	3449
2	A	3428	3356
3	A	3057	2992
4	A	1639	1604
5	A	1379	1350
6	A	989	968
7	A	886	867
8	A	554	542
9	A	304	298
10	E	3524	3449
10	E	3524	3449
11	E	3433	3360
11	E	3433	3360
12	E	1652	1617
12	E	1652	1617
13	E	1423	1393
13	E	1423	1393
14	E	1241	1214
14	E	1241	1214
15	E	1076	1053
15	E	1076	1053
16	E	967	946
16	E	966	946
17	E	439	430
17	E	439	430
18	E	298	291
18	E	297	291

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.480
N3	0.000	1.403	-0.055
N4	1.215	-0.702	-0.055
N5	-1.215	-0.702	-0.055
H6	0.900	1.808	0.233
H7	1.115	-1.683	0.233
H8	-2.015	-0.124	0.233
H9	0.040	1.409	-1.084
H10	1.200	-0.739	-1.084
H11	-1.240	-0.670	-1.084

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1080	1.4669	1.4669	1.4669	2.0240	2.0240	2.0240	2.0266	2.0266	2.0266
H2	1.1080		2.0797	2.0797	2.0797	2.3729	2.3729	2.3729	2.9260	2.9260	2.9260
N3	1.4669	2.0797		2.4307	2.4307	1.0280	3.2946	2.5454	1.0301	2.6626	2.6261
N4	1.4669	2.0797	2.4307		2.4307	2.5454	1.0280	3.2946	2.6261	1.0301	2.6626
N5	1.4669	2.0797	2.4307	2.4307		3.2946	2.5454	1.0280	2.6626	2.6261	1.0301
H6	2.0240	2.3729	1.0280	2.5454	3.2946		3.4974	3.4974	1.6235	2.8830	3.5292
H7	2.0240	2.3729	3.2946	1.0280	2.5454	3.4974		3.4974	3.5292	1.6235	2.8830
H8	2.0240	2.3729	2.5454	3.2946	1.0280	3.4974	3.4974		2.8830	3.5292	1.6235
H9	2.0266	2.9260	1.0301	2.6261	2.6626	1.6235	3.5292	2.8830		2.4413	2.4413
H10	2.0266	2.9260	2.6626	1.0301	2.6261	2.8830	1.6235	3.5292	2.4413		2.4413
H11	2.0266	2.9260	2.6261	2.6626	1.0301	3.5292	2.8830	1.6235	2.4413	2.4413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	107.126	C1	N3	H9	107.215
C1	N4	H7	107.126	C1	N4	H10	107.215
C1	N5	H8	107.126	C1	N5	H11	107.215
H2	C1	N3	106.918	H2	C1	N4	106.918
H2	C1	N5	106.918	N3	C1	N4	111.899
N3	C1	N5	111.899	N4	C1	N5	111.899
H6	N3	H9	104.155	H7	N4	H10	104.155
H8	N5	H11	104.155

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CCSD(T)/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(T)/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)