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	hartrees
Energy at 0K	-209.544285
Energy at 298.15K	-209.548772
HF Energy	-208.845313
Nuclear repulsion energy	141.275411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3073	3.84
2	A'	3201	3042	9.13
3	A'	3182	3024	2.27
4	A'	3076	2924	8.30
5	A'	2183	2074	0.79
6	A'	1695	1611	2.38
7	A'	1523	1447	16.22
8	A'	1457	1385	8.47
9	A'	1417	1347	2.25
10	A'	1274	1211	0.40
11	A'	1139	1083	0.38
12	A'	978	930	13.15
13	A'	915	870	1.34
14	A'	662	630	1.58
15	A'	395	375	0.10
16	A'	159	151	4.09
17	A"	3150	2993	9.48
18	A"	1518	1443	11.08
19	A"	1079	1026	1.07
20	A"	960	912	0.07
21	A"	742	705	46.55
22	A"	510	485	3.50
23	A"	276	262	2.30
24	A"	138	131	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.220	0.254	0.000
N2	-2.208	-0.382	0.000
C3	0.000	1.006	0.000
H4	-0.098	2.087	0.000
C5	1.213	0.422	0.000
H6	2.081	1.080	0.000
C7	1.474	-1.050	0.000
H8	0.549	-1.628	0.000
H9	2.062	-1.331	0.879
H10	2.062	-1.331	-0.879

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1753	1.4331	2.1494	2.4391	3.4027	2.9932	2.5828	3.7493	3.7493
N2	1.1753		2.6083	3.2483	3.5149	4.5316	3.7428	3.0257	4.4620	4.4620
C3	1.4331	2.6083		1.0859	1.3463	2.0822	2.5296	2.6903	3.2383	3.2383
H4	2.1494	3.2483	1.0859		2.1193	2.4005	3.5089	3.7711	4.1382	4.1382
C5	2.4391	3.5149	1.3463	2.1193		1.0888	1.4949	2.1552	2.1374	2.1374
H6	3.4027	4.5316	2.0822	2.4005	1.0888		2.2144	3.1113	2.5667	2.5667
C7	2.9932	3.7428	2.5296	3.5089	1.4949	2.2144		1.0913	1.0942	1.0942
H8	2.5828	3.0257	2.6903	3.7711	2.1552	3.1113	1.0913		1.7748	1.7748
H9	3.7493	4.4620	3.2383	4.1382	2.1374	2.5667	1.0942	1.7748		1.7581
H10	3.7493	4.4620	3.2383	4.1382	2.1374	2.5667	1.0942	1.7748	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	116.463	C1	C3	C5	122.674
N2	C1	C3	178.876	C3	C5	H6	117.151
C3	C5	C7	125.744	H4	C3	C5	120.863
C5	C7	H8	111.940	C5	C7	H9	110.322
C5	C7	H10	110.322	H6	C5	C7	117.105
H8	C7	H9	108.600	H8	C7	H10	108.600
H9	C7	H10	106.902

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

using model chemistry: MP2/6-311G*

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 C4H5N ((Z)-2-Butenenitrile)

using model chemistry: MP2/6-311G*

States and conformations

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