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	hartrees
Energy at 0K	-150.794732
Energy at 298.15K	-150.802849
HF Energy	-150.256284
Nuclear repulsion energy	82.931264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3486	3486	4.14
2	A₁	3085	3085	45.72
3	A₁	1677	1677	31.07
4	A₁	1498	1498	0.01
5	A₁	1151	1151	26.61
6	A₁	921	921	0.71
7	A₁	460	460	8.04
8	A₂	3571	3571	0.00
9	A₂	1416	1416	0.00
10	A₂	1096	1096	0.00
11	A₂	285	285	0.00
12	B₁	3570	3570	1.52
13	B₁	3137	3137	32.53
14	B₁	1396	1396	1.32
15	B₁	866	866	1.68
16	B₁	416	416	90.45
17	B₂	3487	3487	0.00
18	B₂	1671	1671	1.23
19	B₂	1407	1407	33.51
20	B₂	1133	1133	60.08
21	B₂	882	882	345.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.559
N2	0.000	1.262	-0.183
N3	0.000	-1.262	-0.183
H4	0.887	0.000	1.216
H5	-0.887	0.000	1.216
H6	0.812	1.275	-0.807
H7	-0.812	1.275	-0.807
H8	-0.812	-1.275	-0.807
H9	0.812	-1.275	-0.807

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4641	1.4641	1.1039	1.1039	2.0377	2.0377	2.0377	2.0377
N2	1.4641		2.5244	2.0826	2.0826	1.0245	1.0245	2.7362	2.7362
N3	1.4641	2.5244		2.0826	2.0826	2.7362	2.7362	1.0245	1.0245
H4	1.1039	2.0826	2.0826		1.7739	2.3930	2.9338	2.9338	2.3930
H5	1.1039	2.0826	2.0826	1.7739		2.9338	2.3930	2.3930	2.9338
H6	2.0377	1.0245	2.7362	2.3930	2.9338		1.6239	3.0231	2.5499
H7	2.0377	1.0245	2.7362	2.9338	2.3930	1.6239		2.5499	3.0231
H8	2.0377	2.7362	1.0245	2.9338	2.3930	3.0231	2.5499		1.6239
H9	2.0377	2.7362	1.0245	2.3930	2.9338	2.5499	3.0231	1.6239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.645	C1	N2	H7	108.645
C1	N3	H8	108.645	C1	N3	H9	108.645
N2	C1	N3	119.106	N2	C1	H4	107.558
N2	C1	H5	107.558	N3	C1	H4	107.558
N3	C1	H5	107.558	H4	C1	H5	106.928
H6	N2	H7	104.846	H8	N3	H9	104.846

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD=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 NH2CH2NH2 (diaminomethane)

using model chemistry: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)