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	hartrees
Energy at 0K	-209.716447
Energy at 298.15K	-209.720962
HF Energy	-208.884426
Nuclear repulsion energy	141.952782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3084	2.15
2	A'	3206	3051	5.50
3	A'	3180	3026	1.70
4	A'	3076	2927	6.69
5	A'	2185	2079	0.18
6	A'	1689	1607	3.34
7	A'	1497	1424	13.01
8	A'	1436	1366	4.66
9	A'	1400	1332	3.02
10	A'	1260	1199	0.23
11	A'	1127	1072	0.17
12	A'	970	923	12.70
13	A'	918	873	1.89
14	A'	658	626	1.67
15	A'	389	370	0.15
16	A'	155	148	4.61
17	A"	3149	2996	5.43
18	A"	1496	1424	7.80
19	A"	1069	1017	1.56
20	A"	988	941	0.41
21	A"	751	714	36.81
22	A"	516	491	2.68
23	A"	282	268	2.66
24	A"	150	143	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.203	0.229	0.000
N2	-2.214	-0.368	0.000
C3	0.000	0.998	0.000
H4	-0.110	2.072	0.000
C5	1.212	0.425	0.000
H6	2.071	1.086	0.000
C7	1.471	-1.041	0.000
H8	0.545	-1.611	0.000
H9	2.055	-1.320	0.876
H10	2.055	-1.320	-0.876

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1737	1.4278	2.1431	2.4235	3.3843	2.9602	2.5384	3.7130	3.7130
N2	1.1737		2.6011	3.2221	3.5165	4.5243	3.7451	3.0255	4.4605	4.4605
C3	1.4278	2.6011		1.0801	1.3407	2.0727	2.5138	2.6656	3.2196	3.2196
H4	2.1431	3.2221	1.0801		2.1120	2.3934	3.4914	3.7415	4.1190	4.1190
C5	2.4235	3.5165	1.3407	2.1120		1.0832	1.4888	2.1434	2.1275	2.1275
H6	3.3843	4.5243	2.0727	2.3934	1.0832		2.2097	3.0990	2.5610	2.5610
C7	2.9602	3.7451	2.5138	3.4914	1.4888	2.2097		1.0876	1.0899	1.0899
H8	2.5384	3.0255	2.6656	3.7415	2.1434	3.0990	1.0876		1.7703	1.7703
H9	3.7130	4.4605	3.2196	4.1190	2.1275	2.5610	1.0899	1.7703		1.7529
H10	3.7130	4.4605	3.2196	4.1190	2.1275	2.5610	1.0899	1.7703	1.7529

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.735	C1	C3	C5	122.153
N2	C1	C3	178.028	C3	C5	H6	117.152
C3	C5	C7	125.271	H4	C3	C5	121.112
C5	C7	H8	111.652	C5	C7	H9	110.227
C5	C7	H10	110.227	H6	C5	C7	117.577
H8	C7	H9	108.776	H8	C7	H10	108.776
H9	C7	H10	107.055

All results from a given calculation for C₄H₅N ((Z)-2-Butenenitrile)

using model chemistry: MP2/Def2TZVPP

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 C4H5N ((Z)-2-Butenenitrile)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₅N ((Z)-2-Butenenitrile)