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	hartrees
Energy at 0K	-150.731083
Energy at 298.15K	-150.739188
HF Energy	-150.235256
Counterpoise corrected energy	-150.731083
CP Energy at 298.15K	-150.739188
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.926032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3472	3307	3.09
2	A₁	3094	2946	39.17
3	A₁	1731	1649	48.27
4	A₁	1542	1469	0.10
5	A₁	1157	1101	35.21
6	A₁	915	872	0.04
7	A₁	465	443	7.85
8	A₂	3563	3393	0.00
9	A₂	1428	1360	0.00
10	A₂	1099	1047	0.00
11	A₂	292	278	0.00
12	B₁	3562	3392	1.42
13	B₁	3143	2993	29.49
14	B₁	1416	1348	0.41
15	B₁	869	828	1.06
16	B₁	416	397	113.56
17	B₂	3473	3307	0.07
18	B₂	1722	1639	1.40
19	B₂	1423	1355	23.76
20	B₂	1126	1072	57.45
21	B₂	867	826	437.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.263	-0.184
N3	0.000	-1.263	-0.184
H4	0.883	0.000	1.208
H5	-0.883	0.000	1.208
H6	0.817	1.304	-0.795
H7	-0.817	1.304	-0.795
H8	-0.817	-1.304	-0.795
H9	0.817	-1.304	-0.795

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4644	1.4644	1.0962	1.0962	2.0492	2.0492	2.0492	2.0492
N2	1.4644		2.5253	2.0762	2.0762	1.0213	1.0213	2.7622	2.7622
N3	1.4644	2.5253		2.0762	2.0762	2.7622	2.7622	1.0213	1.0213
H4	1.0962	2.0762	2.0762		1.7652	2.3912	2.9330	2.9330	2.3912
H5	1.0962	2.0762	2.0762	1.7652		2.9330	2.3912	2.3912	2.9330
H6	2.0492	1.0213	2.7622	2.3912	2.9330		1.6341	3.0779	2.6082
H7	2.0492	1.0213	2.7622	2.9330	2.3912	1.6341		2.6082	3.0779
H8	2.0492	2.7622	1.0213	2.9330	2.3912	3.0779	2.6082		1.6341
H9	2.0492	2.7622	1.0213	2.3912	2.9330	2.6082	3.0779	1.6341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.768	C1	N2	H7	109.768
C1	N3	H8	109.768	C1	N3	H9	109.768
N2	C1	N3	119.133	N2	C1	H4	107.483
N2	C1	H5	107.483	N3	C1	H4	107.483
N3	C1	H5	107.483	H4	C1	H5	107.245
H6	N2	H7	106.271	H8	N3	H9	106.271

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)