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	hartrees
Energy at 0K	-204.517495
Energy at 298.15K	-204.527610
HF Energy	-204.123981
Nuclear repulsion energy	136.116035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3575	3340	2.08
2	A	3473	3245	8.17
3	A	3163	2956	34.14
4	A	1773	1657	44.57
5	A	1416	1323	3.62
6	A	946	884	23.49
7	A	829	774	0.95
8	A	548	512	30.58
9	A	319	298	84.99
10	E	3574	3339	0.05
10	E	3574	3339	0.05
11	E	3471	3244	0.65
11	E	3471	3244	0.65
12	E	1776	1660	17.60
12	E	1776	1660	17.60
13	E	1476	1380	18.31
13	E	1476	1380	18.31
14	E	1258	1175	48.18
14	E	1258	1175	48.18
15	E	1070	999	42.76
15	E	1070	999	42.76
16	E	853	797	318.29
16	E	853	797	318.29
17	E	434	406	53.41
17	E	434	406	53.41
18	E	287	268	30.10
18	E	287	268	30.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.376
H2	0.000	0.000	1.465
N3	0.000	1.412	-0.061
N4	1.223	-0.706	-0.061
N5	-1.223	-0.706	-0.061
H6	0.842	1.885	0.266
H7	1.211	-1.671	0.266
H8	-2.053	-0.214	0.266
H9	-0.055	1.480	-1.079
H10	1.309	-0.693	-1.079
H11	-1.254	-0.787	-1.079

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0892	1.4782	1.4782	1.4782	2.0671	2.0671	2.0671	2.0759	2.0759	2.0759
H2	1.0892		2.0792	2.0792	2.0792	2.3873	2.3873	2.3873	2.9435	2.9435	2.9435
N3	1.4782	2.0792		2.4459	2.4459	1.0190	3.3289	2.6391	1.0214	2.6794	2.7290
N4	1.4782	2.0792	2.4459		2.4459	2.6391	1.0190	3.3289	2.7290	1.0214	2.6794
N5	1.4782	2.0792	2.4459	2.4459		3.3289	2.6391	1.0190	2.6794	2.7290	1.0214
H6	2.0671	2.3873	1.0190	2.6391	3.3289		3.5752	3.5752	1.6657	2.9443	3.6526
H7	2.0671	2.3873	3.3289	1.0190	2.6391	3.5752		3.5752	3.6526	1.6657	2.9443
H8	2.0671	2.3873	2.6391	3.3289	1.0190	3.5752	3.5752		2.9443	3.6526	1.6657
H9	2.0759	2.9435	1.0214	2.7290	2.6794	1.6657	3.6526	2.9443		2.5653	2.5653
H10	2.0759	2.9435	2.6794	1.0214	2.7290	2.9443	1.6657	3.6526	2.5653		2.5653
H11	2.0759	2.9435	2.7290	2.6794	1.0214	3.6526	2.9443	1.6657	2.5653	2.5653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	110.387	C1	N3	H9	110.982
C1	N4	H7	110.386	C1	N4	H10	110.982
C1	N5	H8	110.386	C1	N5	H11	110.981
H2	C1	N3	107.193	H2	C1	N4	107.193
H2	C1	N5	107.193	N3	C1	N4	111.650
N3	C1	N5	111.650	N4	C1	N5	111.650
H6	N3	H9	109.441	H7	N4	H10	109.441
H8	N5	H11	109.441

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)