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	hartrees
Energy at 0K	-208.147662
Energy at 298.15K	-208.152281
HF Energy	-207.640418
Nuclear repulsion energy	140.335394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3071	7.01
2	A	3138	3042	7.20
3	A	3106	3010	5.52
4	A	3028	2934	9.70
5	A	2278	2208	0.97
6	A	1676	1625	1.04
7	A	1564	1516	9.99
8	A	1481	1435	8.40
9	A	1458	1413	0.21
10	A	1304	1264	0.62
11	A	1151	1115	1.80
12	A	954	925	8.98
13	A	868	841	1.02
14	A	689	667	0.60
15	A	420	407	0.03
16	A	171	165	3.34
17	A	3080	2985	13.61
18	A	1565	1517	8.41
19	A	1119	1085	0.03
20	A	993	962	0.98
21	A	781	757	39.58
22	A	554	537	6.46
23	A	295	286	1.79
24	A	137	133	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-1.232	0.250	0.000
N2	-2.230	-0.371	0.000
C3	0.000	1.007	0.000
H4	-0.109	2.091	0.000
C5	1.222	0.433	0.000
H6	2.097	1.086	0.000
C7	1.495	-1.066	0.000
H8	0.556	-1.635	0.000
H9	2.078	-1.345	0.890
H10	2.078	-1.345	-0.890

	C1	N2	C3	H4	C5	H6	C7	H8	H9	H10
C1		1.1751	1.4456	2.1563	2.4602	3.4318	3.0274	2.5975	3.7807	3.7807
N2	1.1751		2.6207	3.2490	3.5437	4.5649	3.7888	3.0588	4.5056	4.5056
C3	1.4456	2.6207		1.0896	1.3494	2.0981	2.5551	2.6990	3.2623	3.2623
H4	2.1563	3.2490	1.0896		2.1254	2.4235	3.5404	3.7842	4.1692	4.1692
C5	2.4602	3.5437	1.3494	2.1254		1.0917	1.5236	2.1725	2.1655	2.1655
H6	3.4318	4.5649	2.0981	2.4235	1.0917		2.2342	3.1267	2.5893	2.5893
C7	3.0274	3.7888	2.5551	3.5404	1.5236	2.2342		1.0980	1.1003	1.1003
H8	2.5975	3.0588	2.6990	3.7842	2.1725	3.1267	1.0980		1.7871	1.7871
H9	3.7807	4.5056	3.2623	4.1692	2.1655	2.5893	1.1003	1.7871		1.7799
H10	3.7807	4.5056	3.2623	4.1692	2.1655	2.5893	1.1003	1.7871	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H4	115.827	C1	C3	C5	123.299
N2	C1	C3	179.686	C3	C5	H6	118.137
C3	C5	C7	125.471	H4	C3	C5	120.874
C5	C7	H8	110.879	C5	C7	H9	110.196
C5	C7	H10	110.196	H6	C5	C7	116.392
H8	C7	H9	108.766	H8	C7	H10	108.766
H9	C7	H10	107.966

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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