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	hartrees
Energy at 0K	-226.862328
Energy at 298.15K	-226.869430
HF Energy	-226.025098
Nuclear repulsion energy	154.464032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3371	0.29
2	A'	3112	2948	24.50
3	A'	3094	2931	3.31
4	A'	2205	2089	0.02
5	A'	1743	1651	37.48
6	A'	1532	1451	6.90
7	A'	1512	1432	3.45
8	A'	1418	1343	13.21
9	A'	1321	1251	0.66
10	A'	1150	1089	7.92
11	A'	1055	999	54.07
12	A'	967	916	11.71
13	A'	878	831	221.73
14	A'	522	494	1.63
15	A'	382	362	7.68
16	A'	162	153	6.45
17	A"	3659	3465	0.91
18	A"	3174	3006	19.66
19	A"	3145	2979	0.14
20	A"	1429	1353	0.32
21	A"	1343	1272	0.57
22	A"	1189	1126	0.05
23	A"	995	942	0.59
24	A"	765	725	1.50
25	A"	379	359	0.24
26	A"	313	297	53.19
27	A"	110	104	1.23

Atom	x (Å)	y (Å)	z (Å)
H1	2.539	-0.035	0.819
H2	2.539	-0.035	-0.819
N3	2.227	-0.542	0.000
H4	0.490	-1.265	0.877
H5	0.490	-1.265	-0.877
C6	0.781	-0.682	0.000
H7	0.270	1.239	0.881
H8	0.270	1.239	-0.881
C9	0.000	0.649	0.000
N10	-2.599	0.216	0.000
C11	-1.446	0.434	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6374	1.0120	2.3900	2.9301	2.0442	2.6021	3.1075	2.7536	5.2084	4.0948
H2	1.6374		1.0120	2.9301	2.3900	2.0442	3.1075	2.6021	2.7536	5.2084	4.0948
N3	1.0120	1.0120		2.0755	2.0755	1.4525	2.7879	2.7879	2.5248	4.8846	3.7999
H4	2.3900	2.9301	2.0755		1.7549	1.0926	2.5135	3.0677	2.1618	3.5365	2.7214
H5	2.9301	2.3900	2.0755	1.7549		1.0926	3.0677	2.5135	2.1618	3.5365	2.7214
C6	2.0442	2.0442	1.4525	1.0926	1.0926		2.1744	2.1744	1.5434	3.4972	2.4910
H7	2.6021	3.1075	2.7879	2.5135	3.0677	2.1744		1.7624	1.0944	3.1712	2.0907
H8	3.1075	2.6021	2.7879	3.0677	2.5135	2.1744	1.7624		1.0944	3.1712	2.0907
C9	2.7536	2.7536	2.5248	2.1618	2.1618	1.5434	1.0944	1.0944		2.6348	1.4620
N10	5.2084	5.2084	4.8846	3.5365	3.5365	3.4972	3.1712	3.1712	2.6348		1.1734
C11	4.0948	4.0948	3.7999	2.7214	2.7214	2.4910	2.0907	2.0907	1.4620	1.1734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	107.989	H1	N3	C6	110.818
H2	N3	C6	110.818	N3	C6	H4	108.446
N3	C6	H5	108.446	N3	C6	C9	114.828
H4	C6	H5	106.846	H4	C6	C9	108.992
H5	C6	C9	108.992	C6	C9	H7	109.873
C6	C9	H8	109.873	C6	C9	C11	111.937
H7	C9	H8	107.260	H7	C9	C11	108.888
H8	C9	C11	108.888	C9	C11	N10	177.750

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

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

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