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	hartrees
Energy at 0K	-226.683934
Energy at 298.15K	-226.691021
HF Energy	-225.974597
Nuclear repulsion energy	154.077456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3320	0.38
2	A'	3131	2952	20.68
3	A'	3107	2930	3.62
4	A'	2211	2085	0.10
5	A'	1725	1627	29.26
6	A'	1558	1469	4.22
7	A'	1532	1445	3.25
8	A'	1433	1351	11.44
9	A'	1334	1258	1.87
10	A'	1152	1086	6.49
11	A'	1061	1001	51.66
12	A'	971	915	10.62
13	A'	881	831	208.80
14	A'	514	484	1.68
15	A'	381	359	7.35
16	A'	160	150	7.02
17	A"	3624	3417	1.16
18	A"	3191	3010	17.73
19	A"	3159	2979	0.74
20	A"	1426	1345	0.28
21	A"	1346	1270	0.35
22	A"	1190	1122	0.03
23	A"	1000	943	0.87
24	A"	780	735	1.65
25	A"	370	349	0.04
26	A"	325	307	57.83
27	A"	111	105	1.71

Atom	x (Å)	y (Å)	z (Å)
H1	2.538	-0.073	0.819
H2	2.538	-0.073	-0.819
N3	2.234	-0.598	0.000
H4	0.467	-1.279	0.880
H5	0.467	-1.279	-0.880
C6	0.765	-0.704	0.000
H7	0.300	1.221	0.884
H8	0.300	1.221	-0.884
C9	0.000	0.648	0.000
N10	-2.600	0.274	0.000
C11	-1.441	0.478	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6373	1.0189	2.3969	2.9372	2.0518	2.5859	3.0953	2.7624	5.2140	4.0990
H2	1.6373		1.0189	2.9372	2.3969	2.0518	3.0953	2.5859	2.7624	5.2140	4.0990
N3	1.0189	1.0189		2.0879	2.0879	1.4725	2.7983	2.7983	2.5582	4.9118	3.8289
H4	2.3969	2.9372	2.0879		1.7602	1.0926	2.5051	3.0637	2.1693	3.5484	2.7385
H5	2.9372	2.3969	2.0879	1.7602		1.0926	3.0637	2.5051	2.1693	3.5484	2.7385
C6	2.0518	2.0518	1.4725	1.0926	1.0926		2.1686	2.1686	1.5538	3.5043	2.5026
H7	2.5859	3.0953	2.7983	2.5051	3.0637	2.1686		1.7675	1.0949	3.1757	2.0886
H8	3.0953	2.5859	2.7983	3.0637	2.5051	2.1686	1.7675		1.0949	3.1757	2.0886
C9	2.7624	2.7624	2.5582	2.1693	2.1693	1.5538	1.0949	1.0949		2.6266	1.4507
N10	5.2140	5.2140	4.9118	3.5484	3.5484	3.5043	3.1757	3.1757	2.6266		1.1769
C11	4.0990	4.0990	3.8289	2.7385	2.7385	2.5026	2.0886	2.0886	1.4507	1.1769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.919	H1	N3	C6	109.541
H2	N3	C6	109.541	N3	C6	H4	108.061
N3	C6	H5	108.061	N3	C6	C9	115.386
H4	C6	H5	107.324	H4	C6	C9	108.862
H5	C6	C9	108.862	C6	C9	H7	108.678
C6	C9	H8	108.678	C6	C9	C11	112.763
H7	C9	H8	107.641	H7	C9	C11	109.473
H8	C9	C11	109.473	C9	C11	N10	176.768

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

using model chemistry: MP2/6-31G*

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 C3H6N2 (3-Aminopropionitrile)

using model chemistry: MP2/6-31G*

States and conformations

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