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	hartrees
Energy at 0K	-226.706466
Energy at 298.15K	-226.713581
HF Energy	-225.978436
Nuclear repulsion energy	154.425671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3315	0.04
2	A'	3129	2937	22.56
3	A'	3110	2919	3.16
4	A'	2446	2296	4.16
5	A'	1736	1629	29.56
6	A'	1559	1464	4.38
7	A'	1535	1441	3.49
8	A'	1446	1358	11.05
9	A'	1343	1260	2.79
10	A'	1156	1085	6.18
11	A'	1071	1005	51.38
12	A'	981	921	15.75
13	A'	892	837	193.68
14	A'	524	492	1.28
15	A'	384	360	8.02
16	A'	164	154	7.82
17	A"	3621	3399	0.23
18	A"	3181	2986	20.53
19	A"	3153	2959	0.37
20	A"	1431	1343	0.30
21	A"	1349	1266	0.28
22	A"	1195	1122	0.01
23	A"	1003	941	0.94
24	A"	780	732	1.45
25	A"	381	358	0.00
26	A"	319	299	58.02
27	A"	109	102	2.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.535	-0.014	0.817
H2	2.535	-0.014	-0.817
N3	2.232	-0.539	0.000
H4	0.495	-1.275	0.878
H5	0.495	-1.275	-0.878
C6	0.782	-0.689	0.000
H7	0.266	1.235	0.882
H8	0.266	1.235	-0.882
C9	0.000	0.642	0.000
N10	-2.596	0.226	0.000
C11	-1.455	0.430	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6346	1.0175	2.3987	2.9369	2.0486	2.5907	3.0976	2.7428	5.2012	4.0966
H2	1.6346		1.0175	2.9369	2.3987	2.0486	3.0976	2.5907	2.7428	5.2012	4.0966
N3	1.0175	1.0175		2.0808	2.0808	1.4580	2.7912	2.7912	2.5251	4.8885	3.8121
H4	2.3987	2.9369	2.0808		1.7568	1.0941	2.5205	3.0744	2.1659	3.5469	2.7352
H5	2.9369	2.3987	2.0808	1.7568		1.0941	3.0744	2.5205	2.1659	3.5469	2.7352
C6	2.0486	2.0486	1.4580	1.0941	1.0941		2.1785	2.1785	1.5434	3.4997	2.5009
H7	2.5907	3.0976	2.7912	2.5205	3.0744	2.1785		1.7641	1.0957	3.1606	2.0946
H8	3.0976	2.5907	2.7912	3.0744	2.5205	2.1785	1.7641		1.0957	3.1606	2.0946
C9	2.7428	2.7428	2.5251	2.1659	2.1659	1.5434	1.0957	1.0957		2.6295	1.4702
N10	5.2012	5.2012	4.8885	3.5469	3.5469	3.4997	3.1606	3.1606	2.6295		1.1596
C11	4.0966	4.0966	3.8121	2.7352	2.7352	2.5009	2.0946	2.0946	1.4702	1.1596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.878	H1	N3	C6	110.427
H2	N3	C6	110.427	N3	C6	H4	108.396
N3	C6	H5	108.396	N3	C6	C9	114.529
H4	C6	H5	106.802	H4	C6	C9	109.218
H5	C6	C9	109.218	C6	C9	H7	110.113
C6	C9	H8	110.113	C6	C9	C11	112.145
H7	C9	H8	107.215	H7	C9	C11	108.555
H8	C9	C11	108.555	C9	C11	N10	178.135

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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