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	hartrees
Energy at 0K	-187.494723
Energy at 298.15K	-187.498704
HF Energy	-186.883960
Nuclear repulsion energy	101.441476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3721	3477	18.33
2	A	3615	3377	3.25
3	A	2411	2253	0.13
4	A	1693	1582	14.08
5	A	1232	1151	0.03
6	A	829	774	12.46
7	A	683	638	116.03
8	A	378	353	0.06
9	A	329	307	40.63
10	A	209	196	11.73
11	B	3721	3477	17.24
12	B	3617	3380	11.73
13	B	1692	1581	28.65
14	B	1379	1288	76.02
15	B	1231	1150	0.14
16	B	735	687	386.81
17	B	358	335	16.44
18	B	205	192	13.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.609	0.042
C2	-0.006	-0.609	0.042
N3	-0.006	1.966	-0.080
N4	0.006	-1.966	-0.080
H5	-0.321	2.455	0.743
H6	0.853	2.360	-0.432
H7	0.321	-2.455	0.743
H8	-0.853	-2.360	-0.432

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2186	1.3626	2.5785	2.0012	2.0014	3.1590	3.1269
C2	1.2186		2.5785	1.3626	3.1590	3.1269	2.0012	2.0014
N3	1.3626	2.5785		3.9327	1.0079	1.0081	4.5090	4.4223
N4	2.5785	1.3626	3.9327		4.5090	4.4223	1.0079	1.0081
H5	2.0012	3.1590	1.0079	4.5090		1.6636	4.9511	4.9843
H6	2.0014	3.1269	1.0081	4.4223	1.6636		4.9843	5.0185
H7	3.1590	2.0012	4.5090	1.0079	4.9511	4.9843		1.6636
H8	3.1269	2.0014	4.4223	1.0081	4.9843	5.0185	1.6636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.753	C1	N3	H5	114.343
C1	N3	H6	114.353	C2	C1	N3	174.753
C2	N4	H7	114.343	C2	N4	H8	114.353
H5	N3	H6	111.219	H7	N4	H8	111.219

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: MP2=FULL/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 NH2CCNH2 (Diaminoacetylene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)