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	hartrees
Energy at 0K	-150.785131
Energy at 298.15K	-150.793249
HF Energy	-150.256263
Counterpoise corrected energy	-150.785131
CP Energy at 298.15K	-150.793249
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.919544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3495	3344	3.53
2	A₁	3087	2953	45.08
3	A₁	1678	1605	31.75
4	A₁	1499	1434	0.01
5	A₁	1153	1103	27.41
6	A₁	924	884	0.59
7	A₁	461	441	7.97
8	A₂	3581	3426	0.00
9	A₂	1418	1356	0.00
10	A₂	1097	1049	0.00
11	A₂	285	272	0.00
12	B₁	3580	3425	1.11
13	B₁	3139	3003	32.08
14	B₁	1398	1337	1.20
15	B₁	867	829	1.63
16	B₁	414	396	91.18
17	B₂	3496	3344	0.00
18	B₂	1672	1600	1.51
19	B₂	1409	1348	33.61
20	B₂	1139	1090	60.00
21	B₂	884	846	339.35

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	1.217
H5	-0.887	0.000	1.217
H6	0.812	1.275	-0.808
H7	-0.812	1.275	-0.808
H8	-0.812	-1.275	-0.808
H9	0.812	-1.275	-0.808

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4641	1.4641	1.1047	1.1047	2.0383	2.0383	2.0383	2.0383
N2	1.4641		2.5240	2.0835	2.0835	1.0246	1.0246	2.7365	2.7365
N3	1.4641	2.5240		2.0835	2.0835	2.7365	2.7365	1.0246	1.0246
H4	1.1047	2.0835	2.0835		1.7747	2.3943	2.9351	2.9351	2.3943
H5	1.1047	2.0835	2.0835	1.7747		2.9351	2.3943	2.3943	2.9351
H6	2.0383	1.0246	2.7365	2.3943	2.9351		1.6241	3.0240	2.5508
H7	2.0383	1.0246	2.7365	2.9351	2.3943	1.6241		2.5508	3.0240
H8	2.0383	2.7365	1.0246	2.9351	2.3943	3.0240	2.5508		1.6241
H9	2.0383	2.7365	1.0246	2.3943	2.9351	2.5508	3.0240	1.6241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.685	C1	N2	H7	108.685
C1	N3	H8	108.685	C1	N3	H9	108.685
N2	C1	N3	119.072	N2	C1	H4	107.577
N2	C1	H5	107.577	N3	C1	H4	107.577
N3	C1	H5	107.577	H4	C1	H5	106.884
H6	N2	H7	104.854	H8	N3	H9	104.854

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)