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	hartrees
Energy at 0K	-226.834316
Energy at 298.15K	-226.841362
HF Energy	-226.055904
Nuclear repulsion energy	154.751051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3360	1.46
2	A'	3117	2954	24.32
3	A'	3101	2940	2.53
4	A'	2212	2097	0.04
5	A'	1666	1579	29.54
6	A'	1514	1435	4.47
7	A'	1492	1415	3.08
8	A'	1426	1352	15.14
9	A'	1319	1250	1.75
10	A'	1135	1076	12.28
11	A'	1047	992	36.45
12	A'	961	911	6.19
13	A'	849	805	196.29
14	A'	515	488	1.47
15	A'	376	356	7.91
16	A'	156	147	6.77
17	A"	3647	3457	2.63
18	A"	3178	3013	18.67
19	A"	3152	2988	0.00
20	A"	1411	1337	0.12
21	A"	1324	1255	0.14
22	A"	1169	1108	0.05
23	A"	991	939	0.49
24	A"	777	736	0.45
25	A"	362	343	0.14
26	A"	303	287	48.93
27	A"	106	100	1.53

Atom	x (Å)	y (Å)	z (Å)
H1	2.538	-0.033	0.817
H2	2.538	-0.033	-0.817
N3	2.222	-0.540	0.000
H4	0.482	-1.255	0.876
H5	0.482	-1.255	-0.876
C6	0.776	-0.677	0.000
H7	0.267	1.240	0.881
H8	0.267	1.240	-0.881
C9	0.000	0.654	0.000
N10	-2.590	0.201	0.000
C11	-1.443	0.435	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6348	1.0129	2.3929	2.9310	2.0470	2.6040	3.1085	2.7538	5.1983	4.0912
H2	1.6348		1.0129	2.9310	2.3929	2.0470	3.1085	2.6040	2.7538	5.1983	4.0912
N3	1.0129	1.0129		2.0751	2.0751	1.4528	2.7869	2.7869	2.5228	4.8689	3.7927
H4	2.3929	2.9310	2.0751		1.7524	1.0901	2.5039	3.0592	2.1551	3.5108	2.7072
H5	2.9310	2.3929	2.0751	1.7524		1.0901	3.0592	2.5039	2.1551	3.5108	2.7072
C6	2.0470	2.0470	1.4528	1.0901	1.0901		2.1699	2.1699	1.5404	3.4783	2.4816
H7	2.6040	3.1085	2.7869	2.5039	3.0592	2.1699		1.7630	1.0915	3.1653	2.0857
H8	3.1085	2.6040	2.7869	3.0592	2.5039	2.1699	1.7630		1.0915	3.1653	2.0857
C9	2.7538	2.7538	2.5228	2.1551	2.1551	1.5404	1.0915	1.0915		2.6292	1.4596
N10	5.1983	5.1983	4.8689	3.5108	3.5108	3.4783	3.1653	3.1653	2.6292		1.1704
C11	4.0912	4.0912	3.7927	2.7072	2.7072	2.4816	2.0857	2.0857	1.4596	1.1704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	107.604	H1	N3	C6	110.971
H2	N3	C6	110.971	N3	C6	H4	108.540
N3	C6	H5	108.540	N3	C6	C9	114.852
H4	C6	H5	106.987	H4	C6	C9	108.821
H5	C6	C9	108.821	C6	C9	H7	109.888
C6	C9	H8	109.888	C6	C9	C11	111.597
H7	C9	H8	107.718	H7	C9	C11	108.829
H8	C9	C11	108.829	C9	C11	N10	177.137

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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