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	hartrees
Energy at 0K	-206.360184
Energy at 298.15K	-206.370401
HF Energy	-206.140095
Nuclear repulsion energy	137.552301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3542	3395	0.67
2	A	3450	3307	7.04
3	A	3067	2939	39.51
4	A	1641	1573	41.61
5	A	1373	1316	0.63
6	A	961	921	9.00
7	A	886	849	0.70
8	A	559	536	19.00
9	A	311	298	62.24
10	E	3542	3395	0.22
10	E	3542	3395	0.25
11	E	3454	3311	0.60
11	E	3454	3311	0.60
12	E	1653	1584	18.71
12	E	1653	1584	18.71
13	E	1421	1362	26.87
13	E	1421	1362	26.86
14	E	1235	1184	56.48
14	E	1235	1184	56.48
15	E	1068	1023	46.21
15	E	1068	1023	46.21
16	E	939	900	197.79
16	E	939	900	197.80
17	E	443	425	35.02
17	E	443	425	35.02
18	E	294	282	18.88
18	E	294	282	18.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.368
H2	0.000	0.000	1.471
N3	0.000	1.398	-0.054
N4	1.210	-0.699	-0.054
N5	-1.210	-0.699	-0.054
H6	0.889	1.816	0.231
H7	1.128	-1.678	0.231
H8	-2.017	-0.137	0.231
H9	0.012	1.423	-1.079
H10	1.227	-0.722	-1.079
H11	-1.239	-0.701	-1.079

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.1029	1.4602	1.4602	1.4602	2.0263	2.0263	2.0263	2.0297	2.0297	2.0297
H2	1.1029		2.0688	2.0688	2.0688	2.3716	2.3716	2.3716	2.9203	2.9203	2.9203
N3	1.4602	2.0688		2.4210	2.4210	1.0233	3.2884	2.5508	1.0250	2.6550	2.6439
N4	1.4602	2.0688	2.4210		2.4210	2.5508	1.0233	3.2884	2.6439	1.0250	2.6550
N5	1.4602	2.0688	2.4210	2.4210		3.2884	2.5508	1.0233	2.6550	2.6439	1.0250
H6	2.0263	2.3716	1.0233	2.5508	3.2884		3.5017	3.5017	1.6246	2.8758	3.5467
H7	2.0263	2.3716	3.2884	1.0233	2.5508	3.5017		3.5017	3.5467	1.6246	2.8758
H8	2.0263	2.3716	2.5508	3.2884	1.0233	3.5017	3.5017		2.8758	3.5467	1.6246
H9	2.0297	2.9203	1.0250	2.6439	2.6550	1.6246	3.5467	2.8758		2.4656	2.4656
H10	2.0297	2.9203	2.6550	1.0250	2.6439	2.8758	1.6246	3.5467	2.4656		2.4656
H11	2.0297	2.9203	2.6439	2.6550	1.0250	3.5467	2.8758	1.6246	2.4656	2.4656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.069	C1	N3	H9	108.245
C1	N4	H7	108.069	C1	N4	H10	108.245
C1	N5	H8	108.069	C1	N5	H11	108.245
H2	C1	N3	106.811	H2	C1	N4	106.811
H2	C1	N5	106.811	N3	C1	N4	111.996
N3	C1	N5	111.996	N4	C1	N5	111.996
H6	N3	H9	104.965	H7	N4	H10	104.965
H8	N5	H11	104.965

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: B2PLYP=FULL/cc-pVDZ

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: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)