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	hartrees
Energy at 0K	-206.555094
Energy at 298.15K	-206.565196
HF Energy	-206.555094
Nuclear repulsion energy	137.190916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3501	3359	4.81
2	A	3405	3267	11.12
3	A	3074	2949	38.08
4	A	1685	1617	48.13
5	A	1378	1322	0.72
6	A	958	919	9.11
7	A	869	834	1.13
8	A	542	520	24.52
9	A	309	297	77.89
10	E	3501	3359	1.26
10	E	3501	3359	1.26
11	E	3408	3270	3.01
11	E	3408	3270	3.01
12	E	1698	1629	17.93
12	E	1698	1629	17.93
13	E	1432	1373	27.22
13	E	1432	1373	27.22
14	E	1227	1177	58.65
14	E	1227	1177	58.65
15	E	1048	1006	52.14
15	E	1048	1006	52.14
16	E	926	889	229.10
16	E	926	889	229.09
17	E	430	412	38.47
17	E	430	412	38.46
18	E	286	274	20.69
18	E	286	274	20.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.366
H2	0.000	0.000	1.462
N3	0.000	1.403	-0.055
N4	1.215	-0.701	-0.055
N5	-1.215	-0.701	-0.055
H6	0.882	1.827	0.242
H7	1.142	-1.678	0.242
H8	-2.024	-0.150	0.242
H9	0.005	1.440	-1.078
H10	1.244	-0.724	-1.078
H11	-1.249	-0.715	-1.078

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0955	1.4646	1.4645	1.4645	2.0330	2.0330	2.0330	2.0395	2.0395	2.0395
H2	1.0955		2.0658	2.0658	2.0658	2.3676	2.3676	2.3676	2.9197	2.9197	2.9197
N3	1.4646	2.0658		2.4296	2.4296	1.0230	3.2985	2.5678	1.0243	2.6682	2.6637
N4	1.4645	2.0658	2.4296		2.4296	2.5678	1.0230	3.2985	2.6637	1.0243	2.6682
N5	1.4645	2.0658	2.4296	2.4296		3.2985	2.5678	1.0230	2.6682	2.6637	1.0243
H6	2.0330	2.3676	1.0230	2.5678	3.2985		3.5147	3.5147	1.6319	2.8957	3.5711
H7	2.0330	2.3676	3.2985	1.0230	2.5678	3.5147		3.5147	3.5711	1.6319	2.8957
H8	2.0330	2.3676	2.5678	3.2985	1.0230	3.5147	3.5147		2.8957	3.5711	1.6319
H9	2.0395	2.9197	1.0243	2.6637	2.6682	1.6319	3.5711	2.8957		2.4935	2.4935
H10	2.0395	2.9197	2.6682	1.0243	2.6637	2.8957	1.6319	3.5711	2.4935		2.4935
H11	2.0395	2.9197	2.6637	2.6682	1.0243	3.5711	2.8957	1.6319	2.4935	2.4935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.314	C1	N3	H9	108.770
C1	N4	H7	108.314	C1	N4	H10	108.770
C1	N5	H8	108.314	C1	N5	H11	108.770
H2	C1	N3	106.707	H2	C1	N4	106.707
H2	C1	N5	106.707	N3	C1	N4	112.089
N3	C1	N5	112.089	N4	C1	N5	112.089
H6	N3	H9	105.708	H7	N4	H10	105.708
H8	N5	H11	105.708

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: TPSSh/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	0.163
2	H	0.175
3	N	-0.710
4	N	-0.710
5	N	-0.710
6	H	0.313
7	H	0.313
8	H	0.313
9	H	0.284
10	H	0.284
11	H	0.284

<r²>	82.500
(<r²>)^1/2	9.083

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)