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	hartrees
Energy at 0K	-205.635990
Energy at 298.15K	-205.646022
HF Energy	-205.176761
Nuclear repulsion energy	135.787976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3585	3455	0.49
2	A	3464	3338	5.61
3	A	3052	2941	38.55
4	A	1723	1660	53.53
5	A	1373	1323	6.73
6	A	914	881	29.40
7	A	797	768	25.42
8	A	551	531	16.49
9	A	327	315	74.88
10	E	3585	3455	0.01
10	E	3585	3455	0.01
11	E	3467	3341	0.64
11	E	3467	3341	0.64
12	E	1727	1664	24.02
12	E	1727	1664	24.02
13	E	1441	1388	24.03
13	E	1441	1388	24.03
14	E	1237	1192	56.97
14	E	1237	1192	56.97
15	E	1046	1008	36.28
15	E	1046	1008	36.29
16	E	803	774	349.08
16	E	803	774	349.08
17	E	439	423	58.11
17	E	439	423	58.11
18	E	272	262	31.99
18	E	272	262	31.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.372
H2	0.000	0.000	1.472
N3	0.000	1.412	-0.061
N4	1.223	-0.706	-0.061
N5	-1.223	-0.706	-0.061
H6	0.827	1.917	0.259
H7	1.247	-1.675	0.259
H8	-2.074	-0.243	0.259
H9	-0.130	1.518	-1.069
H10	1.380	-0.646	-1.069
H11	-1.249	-0.872	-1.069

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1003	1.4770	1.4770	1.4770	2.0910	2.0910	2.0910	2.0968	2.0968	2.0968
H2	1.1003		2.0843	2.0843	2.0843	2.4149	2.4149	2.4149	2.9627	2.9627	2.9627
N3	1.4770	2.0843		2.4459	2.4459	1.0203	3.3445	2.6722	1.0219	2.6751	2.7916
N4	1.4770	2.0843	2.4459		2.4459	2.6722	1.0203	3.3445	2.7916	1.0219	2.6751
N5	1.4770	2.0843	2.4459	2.4459		3.3445	2.6722	1.0203	2.6751	2.7916	1.0219
H6	2.0910	2.4149	1.0203	2.6722	3.3445		3.6164	3.6164	1.6848	2.9392	3.7218
H7	2.0910	2.4149	3.3445	1.0203	2.6722	3.6164		3.6164	3.7218	1.6848	2.9392
H8	2.0910	2.4149	2.6722	3.3445	1.0203	3.6164	3.6164		2.9392	3.7218	1.6848
H9	2.0968	2.9627	1.0219	2.7916	2.6751	1.6848	3.7218	2.9392		2.6386	2.6386
H10	2.0968	2.9627	2.6751	1.0219	2.7916	2.9392	1.6848	3.7218	2.6386		2.6386
H11	2.0968	2.9627	2.7916	2.6751	1.0219	3.7218	2.9392	1.6848	2.6386	2.6386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	112.427	C1	N3	H9	112.823
C1	N4	H7	112.427	C1	N4	H10	112.823
C1	N5	H8	112.427	C1	N5	H11	112.823
H2	C1	N3	107.037	H2	C1	N4	107.037
H2	C1	N5	107.037	N3	C1	N4	111.792
N3	C1	N5	111.792	N4	C1	N5	111.792
H6	N3	H9	111.173	H7	N4	H10	111.173
H8	N5	H11	111.173

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)