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	hartrees
Energy at 0K	-206.563967
Energy at 298.15K	-206.574186
HF Energy	-206.563967
Nuclear repulsion energy	137.960298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3598	3441	0.02
2	A	3506	3353	4.12
3	A	3069	2935	39.02
4	A	1655	1583	56.07
5	A	1370	1310	1.81
6	A	938	897	16.42
7	A	879	841	1.93
8	A	572	547	18.27
9	A	320	306	66.61
10	E	3598	3442	0.44
10	E	3598	3442	0.44
11	E	3510	3357	0.03
11	E	3510	3357	0.03
12	E	1665	1592	31.38
12	E	1665	1592	31.41
13	E	1423	1361	23.23
13	E	1423	1361	23.22
14	E	1237	1183	57.76
14	E	1236	1183	57.79
15	E	1063	1017	47.55
15	E	1063	1017	47.51
16	E	902	863	232.35
16	E	902	863	232.43
17	E	450	431	39.53
17	E	450	430	39.51
18	E	291	278	23.84
18	E	291	278	23.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.463
N3	0.000	1.393	-0.055
N4	1.206	-0.697	-0.055
N5	-1.206	-0.697	-0.055
H6	0.873	1.828	0.227
H7	1.147	-1.670	0.227
H8	-2.019	-0.158	0.227
H9	-0.039	1.441	-1.069
H10	1.267	-0.687	-1.069
H11	-1.228	-0.754	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0950	1.4557	1.4557	1.4557	2.0302	2.0302	2.0302	2.0353	2.0353	2.0353
H2	1.0950		2.0598	2.0598	2.0598	2.3724	2.3724	2.3724	2.9135	2.9135	2.9135
N3	1.4557	2.0598		2.4128	2.4128	1.0149	3.2824	2.5618	1.0165	2.6385	2.6736
N4	1.4557	2.0598	2.4128		2.4128	2.5618	1.0149	3.2824	2.6736	1.0165	2.6385
N5	1.4557	2.0598	2.4128	2.4128		3.2824	2.5618	1.0149	2.6385	2.6736	1.0165
H6	2.0302	2.3724	1.0149	2.5618	3.2824		3.5081	3.5081	1.6313	2.8566	3.5722
H7	2.0302	2.3724	3.2824	1.0149	2.5618	3.5081		3.5081	3.5722	1.6313	2.8566
H8	2.0302	2.3724	2.5618	3.2824	1.0149	3.5081	3.5081		2.8566	3.5722	1.6313
H9	2.0353	2.9135	1.0165	2.6736	2.6385	1.6313	3.5722	2.8566		2.4966	2.4966
H10	2.0353	2.9135	2.6385	1.0165	2.6736	2.8566	1.6313	3.5722	2.4966		2.4966
H11	2.0353	2.9135	2.6736	2.6385	1.0165	3.5722	2.8566	1.6313	2.4966	2.4966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.227	C1	N3	H9	109.550
C1	N4	H7	109.227	C1	N4	H10	109.550
C1	N5	H8	109.227	C1	N5	H11	109.550
H2	C1	N3	106.866	H2	C1	N4	106.866
H2	C1	N5	106.866	N3	C1	N4	111.946
N3	C1	N5	111.946	N4	C1	N5	111.946
H6	N3	H9	106.847	H7	N4	H10	106.847
H8	N5	H11	106.847

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: wB97X-D/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	0.114
2	H	0.133
3	N	-0.455
4	N	-0.455
5	N	-0.455
6	H	0.203
7	H	0.203
8	H	0.203
9	H	0.170
10	H	0.170
11	H	0.170

	x	y	z
x	5.302	-0.000	-0.000
y	-0.000	5.303	-0.001
z	-0.000	-0.001	5.167

<r²>	81.824
(<r²>)^1/2	9.046

All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)