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	hartrees
Energy at 0K	-226.736911
Energy at 298.15K	-226.744027
HF Energy	-225.996415
Nuclear repulsion energy	153.598309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3509	3342	0.18
2	A'	3105	2958	26.76
3	A'	3092	2945	3.14
4	A'	2191	2087	0.23
5	A'	1659	1580	19.09
6	A'	1495	1424	2.69
7	A'	1465	1395	3.20
8	A'	1395	1329	14.92
9	A'	1296	1234	5.43
10	A'	1147	1092	6.18
11	A'	1061	1010	48.26
12	A'	967	921	16.03
13	A'	894	851	147.51
14	A'	513	488	1.51
15	A'	378	360	6.27
16	A'	159	152	5.98
17	A"	3606	3435	0.56
18	A"	3171	3021	19.45
19	A"	3147	2998	0.00
20	A"	1401	1334	0.53
21	A"	1312	1249	0.59
22	A"	1162	1107	0.03
23	A"	980	933	0.81
24	A"	766	729	1.24
25	A"	373	355	0.44
26	A"	335	319	44.48
27	A"	113	107	1.61

Atom	x (Å)	y (Å)	z (Å)
H1	2.519	0.034	0.812
H2	2.519	0.034	-0.812
N3	2.245	-0.524	0.000
H4	0.504	-1.274	0.885
H5	0.504	-1.274	-0.885
C6	0.795	-0.684	0.000
H7	0.266	1.241	0.889
H8	0.266	1.241	-0.889
C9	0.000	0.642	0.000
N10	-2.619	0.198	0.000
C11	-1.455	0.422	0.000

	H1	H2	N3	H4	H5	C6	H7	H8	C9	N10	C11
H1		1.6250	1.0234	2.4037	2.9418	2.0365	2.5565	3.0701	2.7154	5.2038	4.0741
H2	1.6250		1.0234	2.9418	2.4037	2.0365	3.0701	2.5565	2.7154	5.2038	4.0741
N3	1.0234	1.0234		2.0919	2.0919	1.4584	2.7967	2.7967	2.5297	4.9167	3.8184
H4	2.4037	2.9418	2.0919		1.7701	1.1031	2.5266	3.0873	2.1706	3.5641	2.7381
H5	2.9418	2.4037	2.0919	1.7701		1.1031	3.0873	2.5266	2.1706	3.5641	2.7381
C6	2.0365	2.0365	1.4584	1.1031	1.1031		2.1851	2.1851	1.5461	3.5257	2.5066
H7	2.5565	3.0701	2.7967	2.5266	3.0873	2.1851		1.7782	1.1043	3.1936	2.1029
H8	3.0701	2.5565	2.7967	3.0873	2.5266	2.1851	1.7782		1.1043	3.1936	2.1029
C9	2.7154	2.7154	2.5297	2.1706	2.1706	1.5461	1.1043	1.1043		2.6561	1.4713
N10	5.2038	5.2038	4.9167	3.5641	3.5641	3.5257	3.1936	3.1936	2.6561		1.1853
C11	4.0741	4.0741	3.8184	2.7381	2.7381	2.5066	2.1029	2.1029	1.4713	1.1853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	105.100	H1	N3	C6	109.017
H2	N3	C6	109.017	N3	C6	H4	108.707
N3	C6	H5	108.707	N3	C6	C9	114.663
H4	C6	H5	106.703	H4	C6	C9	108.885
H5	C6	C9	108.885	C6	C9	H7	109.940
C6	C9	H8	109.940	C6	C9	C11	112.321
H7	C9	H8	107.243	H7	C9	C11	108.626
H8	C9	C11	108.626	C9	C11	N10	177.739

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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