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	hartrees
Energy at 0K	-226.856470
Energy at 298.15K	-226.863569
HF Energy	-226.004473
Nuclear repulsion energy	154.629332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3361	1.92
2	A'	3129	2955	17.28
3	A'	3112	2939	1.20
4	A'	2214	2091	0.06
5	A'	1681	1588	25.14
6	A'	1524	1439	3.51
7	A'	1491	1408	3.10
8	A'	1405	1327	11.32
9	A'	1306	1234	1.55
10	A'	1143	1080	7.71
11	A'	1051	993	44.43
12	A'	964	911	7.86
13	A'	864	816	180.74
14	A'	520	492	0.99
15	A'	380	359	5.94
16	A'	161	152	6.88
17	A"	3658	3455	4.28
18	A"	3192	3014	10.63
19	A"	3166	2990	0.01
20	A"	1408	1330	0.15
21	A"	1323	1249	0.36
22	A"	1170	1105	0.00
23	A"	982	927	0.72
24	A"	768	725	1.90
25	A"	386	364	0.03
26	A"	315	298	46.04
27	A"	111	105	1.86

Atom	x (Å)	y (Å)	z (Å)
H1	2.524	-0.008	0.812
H2	2.524	-0.008	-0.812
N3	2.226	-0.537	0.000
H4	0.486	-1.263	0.877
H5	0.486	-1.263	-0.877
C6	0.779	-0.682	0.000
H7	0.268	1.239	0.881
H8	0.268	1.239	-0.881
C9	0.000	0.650	0.000
N10	-2.595	0.207	0.000
C11	-1.442	0.427	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6235	1.0138	2.3939	2.9287	2.0388	2.5783	3.0834	2.7317	5.1872	4.0716
H2	1.6235		1.0138	2.9287	2.3939	2.0388	3.0834	2.5783	2.7317	5.1872	4.0716
N3	1.0138	1.0138		2.0787	2.0787	1.4536	2.7858	2.7858	2.5223	4.8774	3.7924
H4	2.3939	2.9287	2.0787		1.7533	1.0918	2.5111	3.0650	2.1593	3.5243	2.7099
H5	2.9287	2.3939	2.0787	1.7533		1.0918	3.0650	2.5111	2.1593	3.5243	2.7099
C6	2.0388	2.0388	1.4536	1.0918	1.0918		2.1738	2.1738	1.5427	3.4890	2.4829
H7	2.5783	3.0834	2.7858	2.5111	3.0650	2.1738		1.7617	1.0931	3.1684	2.0880
H8	3.0834	2.5783	2.7858	3.0650	2.5111	2.1738	1.7617		1.0931	3.1684	2.0880
C9	2.7317	2.7317	2.5223	2.1593	2.1593	1.5427	1.0931	1.0931		2.6323	1.4591
N10	5.1872	5.1872	4.8774	3.5243	3.5243	3.4890	3.1684	3.1684	2.6323		1.1737
C11	4.0716	4.0716	3.7924	2.7099	2.7099	2.4829	2.0880	2.0880	1.4591	1.1737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.400	H1	N3	C6	110.167
H2	N3	C6	110.167	N3	C6	H4	108.666
N3	C6	H5	108.666	N3	C6	C9	114.629
H4	C6	H5	106.824	H4	C6	C9	108.888
H5	C6	C9	108.888	C6	C9	H7	109.943
C6	C9	H8	109.943	C6	C9	C11	111.580
H7	C9	H8	107.371	H7	C9	C11	108.950
H8	C9	C11	108.950	C9	C11	N10	177.918

All results from a given calculation for C₃H₆N₂ (3-Aminopropionitrile)

using model chemistry: MP2/6-31G(2df,p)

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 C3H6N2 (3-Aminopropionitrile)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆N₂ (3-Aminopropionitrile)