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	hartrees
Energy at 0K	-226.969056
Energy at 298.15K	-226.976086
HF Energy	-226.070997
Nuclear repulsion energy	154.910829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3371	2.71
2	A'	3105	2955	20.15
3	A'	3091	2941	1.03
4	A'	2203	2096	0.15
5	A'	1662	1581	24.48
6	A'	1509	1435	3.77
7	A'	1478	1406	3.66
8	A'	1398	1330	12.51
9	A'	1299	1236	0.99
10	A'	1132	1077	14.40
11	A'	1044	993	32.13
12	A'	962	915	5.51
13	A'	826	786	185.36
14	A'	518	493	1.05
15	A'	376	358	6.85
16	A'	159	151	6.91
17	A"	3641	3464	5.19
18	A"	3165	3011	12.44
19	A"	3140	2988	0.21
20	A"	1398	1331	0.08
21	A"	1317	1253	0.31
22	A"	1165	1108	0.03
23	A"	975	928	0.42
24	A"	764	727	1.22
25	A"	374	356	0.07
26	A"	291	277	42.74
27	A"	110	104	2.15

Atom	x (Å)	y (Å)	z (Å)
H1	2.539	-0.027	0.817
H2	2.539	-0.027	-0.817
N3	2.219	-0.528	0.000
H4	0.486	-1.258	0.874
H5	0.486	-1.258	-0.874
C6	0.778	-0.679	0.000
H7	0.261	1.234	0.880
H8	0.261	1.234	-0.880
C9	0.000	0.647	0.000
N10	-2.587	0.205	0.000
C11	-1.445	0.426	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6334	1.0102	2.3945	2.9306	2.0475	2.6050	3.1082	2.7513	5.1964	4.0919
H2	1.6334		1.0102	2.9306	2.3945	2.0475	3.1082	2.6050	2.7513	5.1964	4.0919
N3	1.0102	1.0102		2.0738	2.0738	1.4488	2.7776	2.7776	2.5113	4.8622	3.7861
H4	2.3945	2.9306	2.0738		1.7478	1.0884	2.5014	3.0550	2.1510	3.5139	2.7063
H5	2.9306	2.3945	2.0738	1.7478		1.0884	3.0550	2.5014	2.1510	3.5139	2.7063
C6	2.0475	2.0475	1.4488	1.0884	1.0884		2.1676	2.1676	1.5370	3.4797	2.4821
H7	2.6050	3.1082	2.7776	2.5014	3.0550	2.1676		1.7601	1.0894	3.1532	2.0821
H8	3.1082	2.6050	2.7776	3.0550	2.5014	2.1676	1.7601		1.0894	3.1532	2.0821
C9	2.7513	2.7513	2.5113	2.1510	2.1510	1.5370	1.0894	1.0894		2.6246	1.4613
N10	5.1964	5.1964	4.8622	3.5139	3.5139	3.4797	3.1532	3.1532	2.6246		1.1638
C11	4.0919	4.0919	3.7861	2.7063	2.7063	2.4821	2.0821	2.0821	1.4613	1.1638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	107.897	H1	N3	C6	111.501
H2	N3	C6	111.501	N3	C6	H4	108.811
N3	C6	H5	108.811	N3	C6	C9	114.474
H4	C6	H5	106.817	H4	C6	C9	108.828
H5	C6	C9	108.828	C6	C9	H7	110.072
C6	C9	H8	110.072	C6	C9	C11	111.724
H7	C9	H8	107.772	H7	C9	C11	108.548
H8	C9	C11	108.548	C9	C11	N10	177.779

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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