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	hartrees
Energy at 0K	-206.215578
Energy at 298.15K	-206.225734
HF Energy	-205.360903
Nuclear repulsion energy	138.074597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3588	3429	0.21
2	A	3498	3343	2.84
3	A	3084	2947	29.22
4	A	1663	1589	46.90
5	A	1378	1317	1.68
6	A	955	912	16.88
7	A	881	842	0.02
8	A	560	535	16.45
9	A	303	290	60.50
10	E	3589	3429	0.60
10	E	3589	3429	0.60
11	E	3501	3345	0.60
11	E	3501	3345	0.60
12	E	1673	1598	24.49
12	E	1673	1598	24.49
13	E	1441	1377	23.56
13	E	1441	1377	23.56
14	E	1245	1190	52.03
14	E	1245	1190	52.03
15	E	1070	1023	40.04
15	E	1070	1023	40.04
16	E	929	888	205.20
16	E	929	888	205.20
17	E	447	427	36.38
17	E	447	427	36.38
18	E	268	256	19.46
18	E	268	256	19.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.371
H2	0.000	0.000	1.462
N3	0.000	1.393	-0.054
N4	1.207	-0.697	-0.054
N5	-1.207	-0.697	-0.054
H6	0.881	1.817	0.215
H7	1.133	-1.671	0.215
H8	-2.013	-0.146	0.215
H9	-0.036	1.431	-1.067
H10	1.257	-0.685	-1.067
H11	-1.221	-0.746	-1.067

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0908	1.4567	1.4567	1.4567	2.0247	2.0247	2.0247	2.0294	2.0294	2.0294
H2	1.0908		2.0590	2.0590	2.0590	2.3729	2.3729	2.3729	2.9063	2.9063	2.9063
N3	1.4567	2.0590		2.4131	2.4131	1.0133	3.2778	2.5484	1.0146	2.6314	2.6639
N4	1.4567	2.0590	2.4131		2.4131	2.5484	1.0133	3.2778	2.6639	1.0146	2.6314
N5	1.4567	2.0590	2.4131	2.4131		3.2778	2.5484	1.0133	2.6314	2.6639	1.0146
H6	2.0247	2.3729	1.0133	2.5484	3.2778		3.4965	3.4965	1.6224	2.8358	3.5540
H7	2.0247	2.3729	3.2778	1.0133	2.5484	3.4965		3.4965	3.5540	1.6224	2.8358
H8	2.0247	2.3729	2.5484	3.2778	1.0133	3.4965	3.4965		2.8358	3.5540	1.6224
H9	2.0294	2.9063	1.0146	2.6639	2.6314	1.6224	3.5540	2.8358		2.4793	2.4793
H10	2.0294	2.9063	2.6314	1.0146	2.6639	2.8358	1.6224	3.5540	2.4793		2.4793
H11	2.0294	2.9063	2.6639	2.6314	1.0146	3.5540	2.8358	1.6224	2.4793	2.4793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.789	C1	N3	H9	109.098
C1	N4	H7	108.789	C1	N4	H10	109.098
C1	N5	H8	108.789	C1	N5	H11	109.098
H2	C1	N3	106.975	H2	C1	N4	106.975
H2	C1	N5	106.975	N3	C1	N4	111.848
N3	C1	N5	111.848	N4	C1	N5	111.848
H6	N3	H9	106.258	H7	N4	H10	106.258
H8	N5	H11	106.258

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)