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	hartrees
Energy at 0K	-187.707724
Energy at 298.15K	-187.711769
HF Energy	-186.954411
Nuclear repulsion energy	101.780240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3660	3522	27.81
2	A	3571	3437	1.16
3	A	2385	2296	0.08
4	A	1678	1615	9.82
5	A	1228	1181	0.84
6	A	818	788	7.54
7	A	637	613	101.10
8	A	407	392	3.48
9	A	345	332	26.41
10	A	205	197	17.44
11	B	3659	3522	27.01
12	B	3573	3438	13.94
13	B	1678	1615	28.25
14	B	1350	1300	104.41
15	B	1227	1181	0.81
16	B	689	663	274.93
17	B	406	391	16.55
18	B	204	197	19.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	0.603	0.050
C2	-0.003	-0.603	0.050
N3	-0.003	1.959	-0.083
N4	0.003	-1.959	-0.083
H5	-0.330	2.459	0.727
H6	0.853	2.349	-0.443
H7	0.330	-2.459	0.727
H8	-0.853	-2.349	-0.443

	C1	C2	N3	N4	H5	H6	H7	H8
C1		1.2063	1.3623	2.5655	2.0031	2.0034	3.1528	3.1131
C2	1.2063		2.5655	1.3623	3.1528	3.1131	2.0031	2.0034
N3	1.3623	2.5655		3.9177	1.0067	1.0069	4.5036	4.4058
N4	2.5655	1.3623	3.9177		4.5036	4.4058	1.0067	1.0069
H5	2.0031	3.1528	1.0067	4.5036		1.6670	4.9615	4.9757
H6	2.0034	3.1131	1.0069	4.4058	1.6670		4.9757	4.9984
H7	3.1528	2.0031	4.5036	1.0067	4.9615	4.9757		1.6670
H8	3.1131	2.0034	4.4058	1.0069	4.9757	4.9984	1.6670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	174.355	C1	N3	H5	114.628
C1	N3	H6	114.644	C2	C1	N3	174.355
C2	N4	H7	114.628	C2	N4	H8	114.644
H5	N3	H6	111.758	H7	N4	H8	111.758

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CCNH₂ (Diaminoacetylene)