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	hartrees
Energy at 0K	-226.768893
Energy at 298.15K	-226.775987
HF Energy	-226.024800
Nuclear repulsion energy	154.309548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3555	3379	0.30
2	A'	3109	2955	24.49
3	A'	3091	2937	3.61
4	A'	2198	2088	0.05
5	A'	1742	1656	37.14
6	A'	1531	1455	6.74
7	A'	1511	1436	3.35
8	A'	1416	1346	13.16
9	A'	1319	1253	0.78
10	A'	1146	1089	7.48
11	A'	1052	1000	55.70
12	A'	963	915	12.35
13	A'	879	835	218.16
14	A'	520	494	1.66
15	A'	381	362	7.62
16	A'	162	154	6.45
17	A"	3655	3473	0.81
18	A"	3171	3014	19.97
19	A"	3142	2986	0.21
20	A"	1427	1356	0.32
21	A"	1342	1275	0.55
22	A"	1188	1129	0.04
23	A"	994	944	0.59
24	A"	764	726	1.43
25	A"	376	357	0.26
26	A"	313	297	53.13
27	A"	110	105	1.24

Atom	x (Å)	y (Å)	z (Å)
H1	2.535	-0.090	0.817
H2	2.535	-0.090	-0.817
N3	2.229	-0.608	0.000
H4	0.460	-1.278	0.880
H5	0.460	-1.278	-0.880
C6	0.761	-0.705	0.000
H7	0.302	1.221	0.883
H8	0.302	1.221	-0.883
C9	0.000	0.650	0.000
N10	-2.591	0.281	0.000
C11	-1.439	0.485	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6339	1.0141	2.3911	2.9311	2.0471	2.5902	3.0976	2.7639	5.2031	4.0970
H2	1.6339		1.0141	2.9311	2.3911	2.0471	3.0976	2.5902	2.7639	5.2031	4.0970
N3	1.0141	1.0141		2.0863	2.0863	1.4713	2.7999	2.7999	2.5597	4.9012	3.8274
H4	2.3911	2.9311	2.0863		1.7591	1.0917	2.5036	3.0618	2.1684	3.5370	2.7364
H5	2.9311	2.3911	2.0863	1.7591		1.0917	3.0618	2.5036	2.1684	3.5370	2.7364
C6	2.0471	2.0471	1.4713	1.0917	1.0917		2.1683	2.1683	1.5547	3.4940	2.5016
H7	2.5902	3.0976	2.7999	2.5036	3.0618	2.1683		1.7661	1.0938	3.1666	2.0854
H8	3.0976	2.5902	2.7999	3.0618	2.5036	2.1683	1.7661		1.0938	3.1666	2.0854
C9	2.7639	2.7639	2.5597	2.1684	2.1684	1.5547	1.0938	1.0938		2.6168	1.4481
N10	5.2031	5.2031	4.9012	3.5370	3.5370	3.4940	3.1666	3.1666	2.6168		1.1699
C11	4.0970	4.0970	3.8274	2.7364	2.7364	2.5016	2.0854	2.0854	1.4481	1.1699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	107.336	H1	N3	C6	109.525
H2	N3	C6	109.525	N3	C6	H4	108.064
N3	C6	H5	108.064	N3	C6	C9	115.506
H4	C6	H5	107.353	H4	C6	C9	108.783
H5	C6	C9	108.783	C6	C9	H7	108.660
C6	C9	H8	108.660	C6	C9	C11	112.785
H7	C9	H8	107.668	H7	C9	C11	109.466
H8	C9	C11	109.466	C9	C11	N10	176.471

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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