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	hartrees
Energy at 0K	-209.706224
Energy at 298.15K	-209.711477
HF Energy	-208.868257
Nuclear repulsion energy	147.944462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3148	0.91
2	A'	3239	3082	0.29
3	A'	3202	3047	1.31
4	A'	2205	2098	6.03
5	A'	1520	1446	0.85
6	A'	1394	1326	0.22
7	A'	1232	1172	1.00
8	A'	1147	1091	0.42
9	A'	1070	1018	7.97
10	A'	978	931	22.40
11	A'	825	785	1.80
12	A'	767	730	3.08
13	A'	522	497	0.35
14	A'	206	196	3.84
15	A"	3295	3135	0.26
16	A"	3197	3041	3.79
17	A"	1485	1413	3.40
18	A"	1211	1153	0.75
19	A"	1122	1068	2.06
20	A"	1093	1040	6.39
21	A"	915	870	1.21
22	A"	841	800	9.04
23	A"	539	513	0.36
24	A"	213	203	2.25

Atom	x (Å)	y (Å)	z (Å)
H1	0.321	2.022	1.264
H2	0.321	2.022	-1.264
H3	-1.117	0.902	-1.252
H4	-1.117	0.902	1.252
H5	1.655	0.350	0.000
C6	0.584	0.224	0.000
N7	-0.232	-2.252	0.000
C8	0.141	-1.140	0.000
C9	-0.232	1.255	0.747
C10	-0.232	1.255	-0.747

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5288	3.1076	1.8231	2.4854	2.2142	4.4915	3.4110	1.0781	2.2231
H2	2.5288		1.8231	3.1076	2.4854	2.2142	4.4915	3.4110	2.2231	1.0781
H3	3.1076	1.8231		2.5046	3.0919	2.2185	3.5071	2.7063	2.2150	1.0782
H4	1.8231	3.1076	2.5046		3.0919	2.2185	3.5071	2.7063	1.0782	2.2150
H5	2.4854	2.4854	3.0919	3.0919		1.0789	3.2140	2.1245	2.2230	2.2230
C6	2.2142	2.2142	2.2185	2.2185	1.0789		2.6065	1.4343	1.5127	1.5127
N7	4.4915	4.4915	3.5071	3.5071	3.2140	2.6065		1.1723	3.5857	3.5857
C8	3.4110	3.4110	2.7063	2.7063	2.1245	1.4343	1.1723		2.5371	2.5371
C9	1.0781	2.2231	2.2150	1.0782	2.2230	1.5127	3.5857	2.5371		1.4947
C10	2.2231	1.0781	1.0782	2.2150	2.2230	1.5127	3.5857	2.5371	1.4947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.446	H1	C9	C6	116.437
H1	C9	C10	118.657	H2	C10	H3	115.446
H2	C10	C6	116.437	H2	C10	C9	118.657
H3	C10	C6	116.804	H3	C10	C9	117.925
H4	C9	C6	116.804	H4	C9	C10	117.925
H5	C6	C8	114.680	H5	C6	C9	117.147
H5	C6	C10	117.147	C6	C8	N7	179.425
C6	C9	C10	60.393	C6	C10	C9	60.393
C8	C6	C9	118.814	C8	C6	C10	118.814
C9	C6	C10	59.214

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

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 (Cyclopropanecarbonitrile)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)