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	hartrees
Energy at 0K	-226.757701
Energy at 298.15K	-226.764821
HF Energy	-225.989072
Nuclear repulsion energy	154.456664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3583	3348	0.31
2	A'	3154	2947	24.32
3	A'	3136	2930	3.29
4	A'	2222	2077	0.11
5	A'	1705	1593	25.60
6	A'	1554	1452	2.67
7	A'	1526	1426	2.76
8	A'	1436	1341	12.44
9	A'	1334	1247	3.04
10	A'	1153	1077	7.46
11	A'	1063	993	43.77
12	A'	974	910	8.54
13	A'	870	813	201.74
14	A'	518	484	1.48
15	A'	382	357	7.35
16	A'	161	150	7.01
17	A"	3689	3447	0.97
18	A"	3220	3008	20.05
19	A"	3192	2983	0.35
20	A"	1426	1332	0.23
21	A"	1347	1258	0.35
22	A"	1189	1111	0.00
23	A"	996	931	0.95
24	A"	776	726	1.15
25	A"	379	354	0.01
26	A"	327	305	54.14
27	A"	113	105	1.73

Atom	x (Å)	y (Å)	z (Å)
H1	2.529	-0.007	0.813
H2	2.529	-0.007	-0.813
N3	2.230	-0.531	0.000
H4	0.499	-1.264	0.875
H5	0.499	-1.264	-0.875
C6	0.786	-0.682	0.000
H7	0.267	1.231	0.878
H8	0.267	1.231	-0.878
C9	0.000	0.642	0.000
N10	-2.606	0.211	0.000
C11	-1.446	0.427	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6268	1.0128	2.3887	2.9244	2.0393	2.5791	3.0838	2.7349	5.2037	4.0810
H2	1.6268		1.0128	2.9244	2.3887	2.0393	3.0838	2.5791	2.7349	5.2037	4.0810
N3	1.0128	1.0128		2.0736	2.0736	1.4528	2.7801	2.7801	2.5201	4.8929	3.7995
H4	2.3887	2.9244	2.0736		1.7497	1.0890	2.5056	3.0581	2.1561	3.5474	2.7224
H5	2.9244	2.3887	2.0736	1.7497		1.0890	3.0581	2.5056	2.1561	3.5474	2.7224
C6	2.0393	2.0393	1.4528	1.0890	1.0890		2.1678	2.1678	1.5399	3.5071	2.4923
H7	2.5791	3.0838	2.7801	2.5056	3.0581	2.1678		1.7568	1.0905	3.1726	2.0865
H8	3.0838	2.5791	2.7801	3.0581	2.5056	2.1678	1.7568		1.0905	3.1726	2.0865
C9	2.7349	2.7349	2.5201	2.1561	2.1561	1.5399	1.0905	1.0905		2.6412	1.4622
N10	5.2037	5.2037	4.8929	3.5474	3.5474	3.5071	3.1726	3.1726	2.6412		1.1795
C11	4.0810	4.0810	3.7995	2.7224	2.7224	2.4923	2.0865	2.0865	1.4622	1.1795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	106.852	H1	N3	C6	110.327
H2	N3	C6	110.327	N3	C6	H4	108.486
N3	C6	H5	108.486	N3	C6	C9	114.690
H4	C6	H5	106.906	H4	C6	C9	108.997
H5	C6	C9	108.997	C6	C9	H7	109.824
C6	C9	H8	109.824	C6	C9	C11	112.215
H7	C9	H8	107.310	H7	C9	C11	108.768
H8	C9	C11	108.768	C9	C11	N10	177.910

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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