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	hartrees
Energy at 0K	-209.380485
Energy at 298.15K	-209.385910
HF Energy	-208.794072
Nuclear repulsion energy	148.211461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3371	3121	6.06
2	A'	3309	3063	0.68
3	A'	3279	3036	3.23
4	A'	2482	2298	23.08
5	A'	1610	1490	0.45
6	A'	1473	1364	0.60
7	A'	1292	1196	1.54
8	A'	1205	1115	1.08
9	A'	1159	1073	4.31
10	A'	1024	948	25.67
11	A'	857	793	2.32
12	A'	799	740	5.08
13	A'	555	514	0.44
14	A'	222	206	4.71
15	A"	3358	3109	0.25
16	A"	3272	3029	8.68
17	A"	1560	1444	2.87
18	A"	1273	1178	0.70
19	A"	1194	1105	1.08
20	A"	1172	1085	7.21
21	A"	994	920	1.40
22	A"	885	819	9.61
23	A"	576	534	1.32
24	A"	226	209	3.20

Atom	x (Å)	y (Å)	z (Å)
H1	-1.770	1.031	1.265
H2	-1.770	1.031	-1.265
H3	-1.253	-0.712	-1.255
H4	-1.253	-0.712	1.255
H5	0.283	1.664	0.000
C6	0.000	0.622	0.000
N7	2.010	-1.024	0.000
C8	1.121	-0.289	0.000
C9	-1.253	0.239	0.745
C10	-1.253	0.239	-0.745

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5297	3.1074	1.8181	2.4930	2.2136	4.4850	3.4212	1.0795	2.2212
H2	2.5297		1.8181	3.1074	2.4930	2.2136	4.4850	3.4212	2.2212	1.0795
H3	3.1074	1.8181		2.5102	3.0954	2.2195	3.5104	2.7190	2.2145	1.0792
H4	1.8181	3.1074	2.5102		3.0954	2.2195	3.5104	2.7190	1.0792	2.2145
H5	2.4930	2.4930	3.0954	3.0954		1.0798	3.1958	2.1263	2.2237	2.2237
C6	2.2136	2.2136	2.2195	2.2195	1.0798		2.5984	1.4453	1.5072	1.5072
N7	4.4850	4.4850	3.5104	3.5104	3.1958	2.5984		1.1532	3.5775	3.5775
C8	3.4212	3.4212	2.7190	2.7190	2.1263	1.4453	1.1532		2.5440	2.5440
C9	1.0795	2.2212	2.2145	1.0792	2.2237	1.5072	3.5775	2.5440		1.4897
C10	2.2212	1.0795	1.0792	2.2145	2.2237	1.5072	3.5775	2.5440	1.4897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.753	H1	C9	C6	116.723
H1	C9	C10	118.798	H2	C10	H3	114.753
H2	C10	C6	116.723	H2	C10	C9	118.798
H3	C10	C6	117.257	H3	C10	C9	118.216
H4	C9	C6	117.257	H4	C9	C10	118.216
H5	C6	C8	113.934	H5	C6	C9	117.587
H5	C6	C10	117.587	C6	C8	N7	179.531
C6	C9	C10	60.383	C6	C10	C9	60.383
C8	C6	C9	118.987	C8	C6	C10	118.987
C9	C6	C10	59.234

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: CISD/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 C4H5N (Cyclopropanecarbonitrile)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)