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	hartrees
Energy at 0K	-150.800819
Energy at 298.15K	-150.808920
HF Energy	-150.255448
Counterpoise corrected energy	-150.800819
CP Energy at 298.15K	-150.808920
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.718898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3453	3339
2	A₁	3069	2967
3	A₁	1662	1607
4	A₁	1485	1435
5	A₁	1146	1108
6	A₁	909	879
7	A₁	452	437
8	A₂	3543	3426
9	A₂	1404	1357
10	A₂	1087	1051
11	A₂	286	277
12	B₁	3541	3424
13	B₁	3125	3021
14	B₁	1386	1340
15	B₁	858	829
16	B₁	417	403
17	B₂	3454	3340
18	B₂	1655	1600
19	B₂	1390	1344
20	B₂	1113	1077
21	B₂	882	853

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.560
N2	0.000	1.267	-0.182
N3	0.000	-1.267	-0.182
H4	0.890	0.000	1.217
H5	-0.890	0.000	1.217
H6	0.812	1.270	-0.811
H7	-0.812	1.270	-0.811
H8	-0.812	-1.270	-0.811
H9	0.812	-1.270	-0.811

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4690	1.4690	1.1060	1.1060	2.0380	2.0380	2.0380	2.0380
N2	1.4690		2.5347	2.0873	2.0873	1.0274	1.0274	2.7370	2.7370
N3	1.4690	2.5347		2.0873	2.0873	2.7370	2.7370	1.0274	1.0274
H4	1.1060	2.0873	2.0873		1.7794	2.3945	2.9368	2.9368	2.3945
H5	1.1060	2.0873	2.0873	1.7794		2.9368	2.3945	2.3945	2.9368
H6	2.0380	1.0274	2.7370	2.3945	2.9368		1.6246	3.0143	2.5390
H7	2.0380	1.0274	2.7370	2.9368	2.3945	1.6246		2.5390	3.0143
H8	2.0380	2.7370	1.0274	2.9368	2.3945	3.0143	2.5390		1.6246
H9	2.0380	2.7370	1.0274	2.3945	2.9368	2.5390	3.0143	1.6246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.146	C1	N2	H7	108.146
C1	N3	H8	108.146	C1	N3	H9	108.146
N2	C1	N3	119.253	N2	C1	H4	107.479
N2	C1	H5	107.479	N3	C1	H4	107.479
N3	C1	H5	107.479	H4	C1	H5	107.115
H6	N2	H7	104.487	H8	N3	H9	104.487

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)