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	hartrees
Energy at 0K	-206.426599
Energy at 298.15K	-206.436288
HF Energy	-206.426599
Nuclear repulsion energy	137.335816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3724	1.20
2	A	3589	3589	0.54
3	A	3097	3097	59.76
4	A	1698	1698	57.85
5	A	1342	1342	14.43
6	A	928	928	9.31
7	A	663	663	117.30
8	A	538	538	11.06
9	A	319	319	32.18
10	E	3724	3724	1.27
10	E	3724	3724	1.27
11	E	3593	3593	0.24
11	E	3593	3593	0.24
12	E	1701	1701	39.96
12	E	1701	1701	39.96
13	E	1442	1442	28.37
13	E	1442	1442	28.34
14	E	1250	1250	87.07
14	E	1250	1250	87.06
15	E	1048	1048	34.34
15	E	1048	1048	34.30
16	E	643	643	338.80
16	E	643	643	338.74
17	E	436	436	101.81
17	E	436	436	101.76
18	E	223	223	48.49
18	E	223	223	48.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.466
N3	0.000	1.389	-0.063
N4	1.203	-0.695	-0.063
N5	-1.203	-0.695	-0.063
H6	0.799	1.929	0.241
H7	1.272	-1.656	0.241
H8	-2.070	-0.273	0.241
H9	-0.242	1.532	-1.034
H10	1.448	-0.556	-1.034
H11	-1.205	-0.976	-1.034

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0945	1.4555	1.4555	1.4555	2.0921	2.0921	2.0921	2.0933	2.0933	2.0933
H2	1.0945		2.0655	2.0655	2.0655	2.4206	2.4206	2.4206	2.9423	2.9423	2.9423
N3	1.4555	2.0655		2.4063	2.4063	1.0109	3.3143	2.6723	1.0117	2.6124	2.8270
N4	1.4555	2.0655	2.4063		2.4063	2.6723	1.0109	3.3142	2.8270	1.0117	2.6124
N5	1.4555	2.0655	2.4063	2.4063		3.3143	2.6723	1.0109	2.6124	2.8270	1.0117
H6	2.0921	2.4206	1.0109	2.6723	3.3143		3.6166	3.6166	1.6940	2.8681	3.7529
H7	2.0921	2.4206	3.3143	1.0109	2.6723	3.6166		3.6166	3.7529	1.6940	2.8681
H8	2.0921	2.4206	2.6723	3.3142	1.0109	3.6166	3.6166		2.8681	3.7529	1.6940
H9	2.0933	2.9423	1.0117	2.8270	2.6124	1.6940	3.7529	2.8681		2.6864	2.6864
H10	2.0933	2.9423	2.6124	1.0117	2.8270	2.8681	1.6940	3.7529	2.6864		2.6864
H11	2.0933	2.9423	2.8270	2.6124	1.0117	3.7529	2.8681	1.6940	2.6864	2.6864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	114.850	C1	N3	H9	114.898
C1	N4	H7	114.850	C1	N4	H10	114.898
C1	N5	H8	114.850	C1	N5	H11	114.898
H2	C1	N3	107.349	H2	C1	N4	107.349
H2	C1	N5	107.349	N3	C1	N4	111.508
N3	C1	N5	111.508	N4	C1	N5	111.508
H6	N3	H9	113.764	H7	N4	H10	113.764
H8	N5	H11	113.764

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: wB97X-D/6-31G

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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Number	Element	Mulliken
1	C	0.199
2	H	0.180
3	N	-0.714
4	N	-0.714
5	N	-0.714
6	H	0.305
7	H	0.305
8	H	0.305
9	H	0.282
10	H	0.282
11	H	0.282

	x	y	z
x	4.570	-0.000	-0.000
y	-0.000	4.571	-0.001
z	-0.000	-0.001	4.385

<r²>	82.698
(<r²>)^1/2	9.094

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)