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	hartrees
Energy at 0K	-209.627532
Energy at 298.15K	-209.632819
HF Energy	-208.829680
Nuclear repulsion energy	147.459556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3126	3.78
2	A'	3229	3058	0.56
3	A'	3195	3026	2.03
4	A'	2207	2090	3.49
5	A'	1541	1460	1.17
6	A'	1411	1336	0.60
7	A'	1246	1180	1.13
8	A'	1158	1097	0.73
9	A'	1089	1032	10.42
10	A'	987	935	24.55
11	A'	831	787	1.60
12	A'	773	732	3.76
13	A'	528	500	0.62
14	A'	209	198	3.37
15	A"	3288	3114	0.27
16	A"	3190	3021	6.02
17	A"	1502	1422	6.18
18	A"	1225	1160	0.87
19	A"	1136	1076	4.56
20	A"	1099	1041	7.00
21	A"	929	880	0.66
22	A"	854	809	10.78
23	A"	546	517	0.42
24	A"	216	205	1.83

Atom	x (Å)	y (Å)	z (Å)
H1	-1.784	1.022	1.268
H2	-1.784	1.022	-1.268
H3	-1.240	-0.726	-1.257
H4	-1.240	-0.726	1.257
H5	0.263	1.682	0.000
C6	0.000	0.630	0.000
N7	2.021	-1.027	0.000
C8	1.120	-0.273	0.000
C9	-1.257	0.231	0.749
C10	-1.257	0.231	-0.749

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5365	3.1189	1.8306	2.4972	2.2237	4.5038	3.4232	1.0832	2.2305
H2	2.5365		1.8306	3.1189	2.4972	2.2237	4.5038	3.4232	2.2305	1.0832
H3	3.1189	1.8306		2.5138	3.1046	2.2265	3.5080	2.7120	2.2227	1.0830
H4	1.8306	3.1189	2.5138		3.1046	2.2265	3.5080	2.7120	1.0830	2.2227
H5	2.4972	2.4972	3.1046	3.1046		1.0841	3.2290	2.1344	2.2314	2.2314
C6	2.2237	2.2237	2.2265	2.2265	1.0841		2.6135	1.4388	1.5169	1.5169
N7	4.5038	4.5038	3.5080	3.5080	3.2290	2.6135		1.1748	3.5899	3.5899
C8	3.4232	3.4232	2.7120	2.7120	2.1344	1.4388	1.1748		2.5425	2.5425
C9	1.0832	2.2305	2.2227	1.0830	2.2314	1.5169	3.5899	2.5425		1.4988
C10	2.2305	1.0832	1.0830	2.2227	2.2314	1.5169	3.5899	2.5425	1.4988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.359	H1	C9	C6	116.579
H1	C9	C10	118.621	H2	C10	H3	115.359
H2	C10	C6	116.579	H2	C10	C9	118.621
H3	C10	C6	116.834	H3	C10	C9	117.945
H4	C9	C6	116.834	H4	C9	C10	117.945
H5	C6	C8	114.831	H5	C6	C9	117.184
H5	C6	C10	117.184	C6	C8	N7	178.987
C6	C9	C10	60.395	C6	C10	C9	60.395
C8	C6	C9	118.653	C8	C6	C10	118.653
C9	C6	C10	59.210

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2=FULL/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 (Cyclopropanecarbonitrile)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)