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	hartrees
Energy at 0K	-205.584686
Energy at 298.15K	-205.594581
HF Energy	-205.584686
Nuclear repulsion energy	138.759500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3487	3487	4.18
2	A	3389	3389	2.34
3	A	2925	2925	19.46
4	A	1550	1550	65.18
5	A	1289	1289	0.94
6	A	907	907	5.21
7	A	783	783	24.54
8	A	551	551	7.42
9	A	319	319	45.12
10	E	3488	3488	2.49
10	E	3488	3488	2.49
11	E	3395	3395	0.62
11	E	3395	3395	0.62
12	E	1561	1561	36.97
12	E	1561	1561	36.98
13	E	1343	1343	21.44
13	E	1343	1343	21.44
14	E	1194	1194	52.13
14	E	1194	1194	52.13
15	E	1015	1015	30.34
15	E	1015	1015	30.34
16	E	805	805	222.56
16	E	805	805	222.57
17	E	430	430	43.44
17	E	430	430	43.44
18	E	238	238	21.62
18	E	238	238	21.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.370
H2	0.000	0.000	1.477
N3	0.000	1.376	-0.051
N4	1.191	-0.688	-0.051
N5	-1.191	-0.688	-0.051
H6	0.887	1.827	0.190
H7	1.139	-1.682	0.190
H8	-2.026	-0.145	0.190
H9	-0.124	1.436	-1.067
H10	1.305	-0.611	-1.067
H11	-1.182	-0.825	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1067	1.4387	1.4387	1.4387	2.0388	2.0388	2.0388	2.0347	2.0347	2.0347
H2	1.1067		2.0557	2.0557	2.0557	2.4039	2.4039	2.4039	2.9230	2.9230	2.9230
N3	1.4387	2.0557		2.3829	2.3829	1.0240	3.2715	2.5446	1.0249	2.5848	2.6965
N4	1.4387	2.0557	2.3829		2.3829	2.5446	1.0240	3.2715	2.6965	1.0249	2.5848
N5	1.4387	2.0557	2.3829	2.3829		3.2715	2.5446	1.0240	2.5848	2.6965	1.0249
H6	2.0388	2.4039	1.0240	2.5446	3.2715		3.5176	3.5176	1.6596	2.7743	3.5904
H7	2.0388	2.4039	3.2715	1.0240	2.5446	3.5176		3.5176	3.5904	1.6596	2.7743
H8	2.0388	2.4039	2.5446	3.2715	1.0240	3.5176	3.5176		2.7743	3.5904	1.6596
H9	2.0347	2.9230	1.0249	2.6965	2.5848	1.6596	3.5904	2.7743		2.4960	2.4960
H10	2.0347	2.9230	2.5848	1.0249	2.6965	2.7743	1.6596	3.5904	2.4960		2.4960
H11	2.0347	2.9230	2.6965	2.5848	1.0249	3.5904	2.7743	1.6596	2.4960	2.4960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.635	C1	N3	H9	110.230
C1	N4	H7	110.635	C1	N4	H10	110.230
C1	N5	H8	110.635	C1	N5	H11	110.230
H2	C1	N3	107.007	H2	C1	N4	107.007
H2	C1	N5	107.007	N3	C1	N4	111.819
N3	C1	N5	111.819	N4	C1	N5	111.819
H6	N3	H9	108.194	H7	N4	H10	108.194
H8	N5	H11	108.194

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: SVWN/6-311+G(3df,2p)

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	1.089
2	H	0.129
3	N	-0.838
4	N	-0.838
5	N	-0.838
6	H	0.228
7	H	0.228
8	H	0.228
9	H	0.204
10	H	0.204
11	H	0.204

	x	y	z
x	7.282	0.001	-0.000
y	0.001	7.282	-0.000
z	-0.000	-0.000	6.530

<r²>	81.505
(<r²>)^1/2	9.028

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: SVWN/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)