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	hartrees
Energy at 0K	-39.967400
Energy at 298.15K	-39.974386
HF Energy	-39.291252
Nuclear repulsion energy	83.523114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3510	3333	0.45
2	A'	3124	2966	31.63
3	A'	3107	2950	7.46
4	A'	2171	2061	0.13
5	A'	1705	1619	27.43
6	A'	1518	1441	5.29
7	A'	1501	1425	3.85
8	A'	1417	1345	14.15
9	A'	1310	1243	4.85
10	A'	1125	1068	7.46
11	A'	1060	1006	48.46
12	A'	951	903	16.63
13	A'	885	840	178.54
14	A'	503	477	2.80
15	A'	369	350	8.31
16	A'	155	147	6.80
17	A"	3617	3434	0.72
18	A"	3197	3036	32.44
19	A"	3174	3013	0.03
20	A"	1409	1337	0.39
21	A"	1335	1267	0.13
22	A"	1175	1116	0.45
23	A"	975	926	0.93
24	A"	763	724	1.40
25	A"	352	335	0.19
26	A"	301	286	63.01
27	A"	112	106	1.94

Atom	x (Å)	y (Å)	z (Å)
H1	2.553	0.034	0.822
H2	2.553	0.034	-0.822
N3	2.267	-0.509	0.000
H4	0.521	-1.269	0.890
H5	0.521	-1.269	-0.890
C6	0.801	-0.680	0.000
H7	0.252	1.255	0.894
H8	0.252	1.255	-0.894
C9	0.000	0.658	0.000
N10	-2.644	0.167	0.000
C11	-1.469	0.414	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6444	1.0257	2.4143	2.9590	2.0627	2.6052	3.1191	2.7535	5.2631	4.1225
H2	1.6444		1.0257	2.9590	2.4143	2.0627	3.1191	2.6052	2.7535	5.2631	4.1225
N3	1.0257	1.0257		2.1018	2.1018	1.4764	2.8229	2.8229	2.5498	4.9574	3.8484
H4	2.4143	2.9590	2.1018		1.7797	1.1034	2.5385	3.1027	2.1862	3.5882	2.7545
H5	2.9590	2.4143	2.1018	1.7797		1.1034	3.1027	2.5385	2.1862	3.5882	2.7545
C6	2.0627	2.0627	1.4764	1.1034	1.1034		2.2006	2.2006	1.5592	3.5472	2.5194
H7	2.6052	3.1191	2.8229	2.5385	3.1027	2.2006		1.7886	1.1042	3.2208	2.1143
H8	3.1191	2.6052	2.8229	3.1027	2.5385	2.2006	1.7886		1.1042	3.2208	2.1143
C9	2.7535	2.7535	2.5498	2.1862	2.1862	1.5592	1.1042	1.1042		2.6895	1.4893
N10	5.2631	5.2631	4.9574	3.5882	3.5882	3.5472	3.2208	3.2208	2.6895		1.2007
C11	4.1225	4.1225	3.8484	2.7545	2.7545	2.5194	2.1143	2.1143	1.4893	1.2007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.573	H1	N3	C6	109.746
H2	N3	C6	109.746	N3	C6	H4	108.252
N3	C6	H5	108.252	N3	C6	C9	114.244
H4	C6	H5	107.504	H4	C6	C9	109.189
H5	C6	C9	109.189	C6	C9	H7	110.256
C6	C9	H8	110.256	C6	C9	C11	111.444
H7	C9	H8	108.176	H7	C9	C11	108.307
H8	C9	C11	108.307	C9	C11	N10	177.576

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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