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	hartrees
Energy at 0K	-206.257433
Energy at 298.15K	-206.267514
HF Energy	-205.377220
Nuclear repulsion energy	138.395112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3609	3423	4.88
2	A	3504	3323	0.85
3	A	3107	2946	21.83
4	A	1638	1553	51.15
5	A	1356	1286	1.61
6	A	935	887	17.37
7	A	860	816	3.99
8	A	557	528	13.35
9	A	303	287	57.95
10	E	3610	3424	3.15
10	E	3610	3424	3.15
11	E	3510	3329	1.63
11	E	3510	3329	1.63
12	E	1647	1562	27.65
12	E	1647	1562	27.65
13	E	1424	1350	20.60
13	E	1424	1350	20.60
14	E	1232	1169	51.90
14	E	1232	1169	51.90
15	E	1057	1003	37.79
15	E	1057	1003	37.79
16	E	892	846	213.22
16	E	892	846	213.22
17	E	444	421	39.97
17	E	444	421	39.97
18	E	259	245	19.74
18	E	259	245	19.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.461
N3	0.000	1.388	-0.053
N4	1.202	-0.694	-0.053
N5	-1.202	-0.694	-0.053
H6	0.879	1.818	0.207
H7	1.135	-1.670	0.207
H8	-2.014	-0.148	0.207
H9	-0.060	1.433	-1.064
H10	1.270	-0.665	-1.064
H11	-1.211	-0.768	-1.064

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0892	1.4518	1.4518	1.4518	2.0262	2.0262	2.0262	2.0289	2.0289	2.0289
H2	1.0892		2.0541	2.0541	2.0541	2.3768	2.3768	2.3768	2.9035	2.9035	2.9035
N3	1.4518	2.0541		2.4045	2.4045	1.0127	3.2729	2.5465	1.0134	2.6173	2.6715
N4	1.4518	2.0541	2.4045		2.4045	2.5465	1.0127	3.2729	2.6715	1.0134	2.6173
N5	1.4518	2.0541	2.4045	2.4045		3.2729	2.5465	1.0127	2.6173	2.6715	1.0134
H6	2.0262	2.3768	1.0127	2.5465	3.2729		3.4980	3.4980	1.6267	2.8170	3.5598
H7	2.0262	2.3768	3.2729	1.0127	2.5465	3.4980		3.4980	3.5598	1.6267	2.8169
H8	2.0262	2.3768	2.5465	3.2729	1.0127	3.4980	3.4980		2.8169	3.5598	1.6267
H9	2.0289	2.9035	1.0134	2.6715	2.6173	1.6267	3.5598	2.8169		2.4835	2.4835
H10	2.0289	2.9035	2.6173	1.0134	2.6715	2.8170	1.6267	3.5598	2.4835		2.4835
H11	2.0289	2.9035	2.6715	2.6173	1.0134	3.5598	2.8169	1.6267	2.4835	2.4835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.311	C1	N3	H9	109.490
C1	N4	H7	109.311	C1	N4	H10	109.490
C1	N5	H8	109.311	C1	N5	H11	109.490
H2	C1	N3	107.013	H2	C1	N4	107.013
H2	C1	N5	107.013	N3	C1	N4	111.814
N3	C1	N5	111.814	N4	C1	N5	111.814
H6	N3	H9	106.807	H7	N4	H10	106.807
H8	N5	H11	106.807

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2/cc-pVQZ

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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All results from a given calculation for CH7N3 (triaminomethane)

using model chemistry: MP2/cc-pVQZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)