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	hartrees
Energy at 0K	-205.558785
Energy at 298.15K	-205.568863
HF Energy	-205.558785
Nuclear repulsion energy	138.605652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3475	3439	0.10
2	A	3376	3341	4.73
3	A	2934	2903	27.82
4	A	1560	1544	71.51
5	A	1310	1296	0.58
6	A	909	900	6.84
7	A	830	821	13.63
8	A	558	552	18.44
9	A	336	332	52.34
10	E	3476	3440	0.77
10	E	3476	3440	0.77
11	E	3383	3348	0.61
11	E	3383	3348	0.61
12	E	1572	1556	34.79
12	E	1572	1556	34.79
13	E	1351	1337	21.34
13	E	1351	1337	21.34
14	E	1203	1190	50.91
14	E	1203	1190	50.92
15	E	1025	1014	34.74
15	E	1025	1014	34.73
16	E	838	829	252.45
16	E	838	829	252.44
17	E	431	426	43.72
17	E	431	426	43.71
18	E	281	278	25.56
18	E	281	278	25.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.477
N3	0.000	1.379	-0.051
N4	1.194	-0.690	-0.051
N5	-1.194	-0.690	-0.051
H6	0.892	1.817	0.205
H7	1.128	-1.681	0.205
H8	-2.019	-0.136	0.205
H9	-0.080	1.420	-1.075
H10	1.270	-0.641	-1.075
H11	-1.190	-0.780	-1.075

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1083	1.4419	1.4419	1.4419	2.0305	2.0305	2.0305	2.0267	2.0267	2.0267
H2	1.1083		2.0590	2.0590	2.0590	2.3906	2.3906	2.3906	2.9216	2.9216	2.9216
N3	1.4419	2.0590		2.3890	2.3890	1.0257	3.2711	2.5377	1.0271	2.5962	2.6689
N4	1.4419	2.0590	2.3890		2.3890	2.5377	1.0257	3.2711	2.6689	1.0271	2.5962
N5	1.4419	2.0590	2.3890	2.3890		3.2711	2.5377	1.0257	2.5962	2.6689	1.0271
H6	2.0305	2.3906	1.0257	2.5377	3.2711		3.5054	3.5054	1.6549	2.7964	3.5653
H7	2.0305	2.3906	3.2711	1.0257	2.5377	3.5054		3.5054	3.5653	1.6549	2.7964
H8	2.0305	2.3906	2.5377	3.2711	1.0257	3.5054	3.5054		2.7964	3.5653	1.6549
H9	2.0267	2.9216	1.0271	2.6689	2.5962	1.6549	3.5653	2.7964		2.4639	2.4639
H10	2.0267	2.9216	2.5962	1.0271	2.6689	2.7964	1.6549	3.5653	2.4639		2.4639
H11	2.0267	2.9216	2.6689	2.5962	1.0271	3.5653	2.7964	1.6549	2.4639	2.4639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.584	C1	N3	H9	109.184
C1	N4	H7	109.584	C1	N4	H10	109.184
C1	N5	H8	109.584	C1	N5	H11	109.184
H2	C1	N3	106.952	H2	C1	N4	106.952
H2	C1	N5	106.952	N3	C1	N4	111.869
N3	C1	N5	111.869	N4	C1	N5	111.869
H6	N3	H9	107.444	H7	N4	H10	107.444
H8	N5	H11	107.444

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: SVWN/6-311G**

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	-0.022
2	H	0.172
3	N	-0.445
4	N	-0.445
5	N	-0.445
6	H	0.215
7	H	0.215
8	H	0.215
9	H	0.180
10	H	0.180
11	H	0.180

<r²>	81.103
(<r²>)^1/2	9.006

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)