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	hartrees
Energy at 0K	-204.541453
Energy at 298.15K	-204.551540
HF Energy	-204.122385
Nuclear repulsion energy	135.546707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3510	3352	3.16
2	A	3396	3243	10.98
3	A	3136	2994	31.38
4	A	1744	1665	43.05
5	A	1398	1335	2.02
6	A	943	900	18.13
7	A	809	773	0.03
8	A	540	516	34.14
9	A	320	306	82.43
10	E	3510	3351	0.20
10	E	3510	3351	0.20
11	E	3401	3247	0.97
11	E	3401	3247	0.97
12	E	1747	1668	14.49
12	E	1747	1668	14.49
13	E	1452	1387	16.84
13	E	1452	1387	16.84
14	E	1240	1184	41.91
14	E	1240	1184	41.91
15	E	1056	1008	42.99
15	E	1056	1008	42.99
16	E	836	798	302.17
16	E	836	798	302.17
17	E	427	407	53.77
17	E	427	407	53.77
18	E	288	275	28.88
18	E	288	275	28.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
H2	0.000	0.000	1.469
N3	0.000	1.420	-0.060
N4	1.229	-0.710	-0.060
N5	-1.229	-0.710	-0.060
H6	0.855	1.882	0.265
H7	1.203	-1.681	0.265
H8	-2.057	-0.201	0.265
H9	-0.041	1.475	-1.085
H10	1.297	-0.702	-1.085
H11	-1.257	-0.773	-1.085

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0920	1.4853	1.4853	1.4853	2.0701	2.0701	2.0701	2.0769	2.0769	2.0769
H2	1.0920		2.0864	2.0864	2.0864	2.3921	2.3921	2.3921	2.9493	2.9493	2.9493
N3	1.4853	2.0864		2.4588	2.4588	1.0247	3.3417	2.6389	1.0271	2.6900	2.7268
N4	1.4853	2.0864	2.4588		2.4588	2.6389	1.0247	3.3417	2.7268	1.0271	2.6900
N5	1.4853	2.0864	2.4588	2.4588		3.3417	2.6389	1.0247	2.6900	2.7268	1.0271
H6	2.0701	2.3921	1.0247	2.6389	3.3417		3.5802	3.5802	1.6702	2.9491	3.6507
H7	2.0701	2.3921	3.3417	1.0247	2.6389	3.5802		3.5802	3.6507	1.6702	2.9491
H8	2.0701	2.3921	2.6389	3.3417	1.0247	3.5802	3.5802		2.9491	3.6507	1.6702
H9	2.0769	2.9493	1.0271	2.7268	2.6900	1.6702	3.6507	2.9491		2.5554	2.5554
H10	2.0769	2.9493	2.6900	1.0271	2.7268	2.9491	1.6702	3.6507	2.5554		2.5554
H11	2.0769	2.9493	2.7268	2.6900	1.0271	3.6507	2.9491	1.6702	2.5554	2.5554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	109.756	C1	N3	H9	110.180
C1	N4	H7	109.756	C1	N4	H10	110.180
C1	N5	H8	109.756	C1	N5	H11	110.180
H2	C1	N3	107.112	H2	C1	N4	107.112
H2	C1	N5	107.112	N3	C1	N4	111.724
N3	C1	N5	111.724	N4	C1	N5	111.724
H6	N3	H9	108.981	H7	N4	H10	108.981
H8	N5	H11	108.981

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: MP2=FULL/3-21G

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=FULL/3-21G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)