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	hartrees
Energy at 0K	-151.040234
Energy at 298.15K	-151.048193
HF Energy	-150.309156
Nuclear repulsion energy	83.387706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3505	3378
2	A₁	3080	2968
3	A₁	1670	1609
4	A₁	1510	1456
5	A₁	1106	1066
6	A₁	865	833
7	A₁	456	439
8	A₂	3578	3449
9	A₂	1410	1358
10	A₂	1076	1037
11	A₂	243	234
12	B₁	3576	3447
13	B₁	3106	2993
14	B₁	1381	1331
15	B₁	851	821
16	B₁	364	351
17	B₂	3504	3377
18	B₂	1658	1598
19	B₂	1396	1346
20	B₂	1100	1060
21	B₂	803	774

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.556
N2	0.000	1.255	-0.185
N3	0.000	-1.255	-0.185
H4	0.878	0.000	1.200
H5	-0.878	0.000	1.200
H6	0.813	1.309	-0.786
H7	-0.813	1.309	-0.786
H8	-0.813	-1.309	-0.786
H9	0.813	-1.309	-0.786

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4570	1.4570	1.0891	1.0891	2.0431	2.0431	2.0431	2.0431
N2	1.4570		2.5095	2.0648	2.0648	1.0127	1.0127	2.7559	2.7559
N3	1.4570	2.5095		2.0648	2.0648	2.7559	2.7559	1.0127	1.0127
H4	1.0891	2.0648	2.0648		1.7555	2.3795	2.9185	2.9185	2.3795
H5	1.0891	2.0648	2.0648	1.7555		2.9185	2.3795	2.3795	2.9185
H6	2.0431	1.0127	2.7559	2.3795	2.9185		1.6268	3.0822	2.6179
H7	2.0431	1.0127	2.7559	2.9185	2.3795	1.6268		2.6179	3.0822
H8	2.0431	2.7559	1.0127	2.9185	2.3795	3.0822	2.6179		1.6268
H9	2.0431	2.7559	1.0127	2.3795	2.9185	2.6179	3.0822	1.6268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.346	C1	N2	H7	110.346
C1	N3	H8	110.346	C1	N3	H9	110.346
N2	C1	N3	118.901	N2	C1	H4	107.510
N2	C1	H5	107.510	N3	C1	H4	107.510
N3	C1	H5	107.510	H4	C1	H5	107.411
H6	N2	H7	106.871	H8	N3	H9	106.871

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)