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	hartrees
Energy at 0K	-150.992196
Energy at 298.15K	-151.000261
HF Energy	-150.305969
Nuclear repulsion energy	83.676329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3547	3363	0.56
2	A₁	3107	2945	35.75
3	A₁	1693	1606	41.36
4	A₁	1526	1447	0.02
5	A₁	1130	1072	35.64
6	A₁	889	843	0.73
7	A₁	468	443	4.17
8	A₂	3628	3440	0.00
9	A₂	1427	1353	0.00
10	A₂	1092	1036	0.00
11	A₂	267	253	0.00
12	B₁	3626	3438	0.68
13	B₁	3128	2965	24.90
14	B₁	1399	1326	0.47
15	B₁	864	819	0.85
16	B₁	399	378	85.09
17	B₂	3547	3363	1.77
18	B₂	1682	1595	4.83
19	B₂	1417	1343	21.10
20	B₂	1129	1071	71.30
21	B₂	827	784	385.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.250	-0.185
N3	0.000	-1.250	-0.185
H4	0.872	0.000	1.199
H5	-0.872	0.000	1.199
H6	0.810	1.302	-0.784
H7	-0.810	1.302	-0.784
H8	-0.810	-1.302	-0.784
H9	0.810	-1.302	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4522	1.4522	1.0851	1.0851	2.0350	2.0350	2.0350	2.0350
N2	1.4522		2.5009	2.0589	2.0589	1.0093	1.0093	2.7439	2.7439
N3	1.4522	2.5009		2.0589	2.0589	2.7439	2.7439	1.0093	1.0093
H4	1.0851	2.0589	2.0589		1.7445	2.3734	2.9085	2.9085	2.3734
H5	1.0851	2.0589	2.0589	1.7445		2.9085	2.3734	2.3734	2.9085
H6	2.0350	1.0093	2.7439	2.3734	2.9085		1.6200	3.0661	2.6033
H7	2.0350	1.0093	2.7439	2.9085	2.3734	1.6200		2.6033	3.0661
H8	2.0350	2.7439	1.0093	2.9085	2.3734	3.0661	2.6033		1.6200
H9	2.0350	2.7439	1.0093	2.3734	2.9085	2.6033	3.0661	1.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.235	C1	N2	H7	110.235
C1	N3	H8	110.235	C1	N3	H9	110.235
N2	C1	N3	118.883	N2	C1	H4	107.603
N2	C1	H5	107.603	N3	C1	H4	107.603
N3	C1	H5	107.603	H4	C1	H5	107.001
H6	N2	H7	106.746	H8	N3	H9	106.746

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD=FULL/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 NH2CH2NH2 (diaminomethane)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)