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	hartrees
Energy at 0K	-209.499661
Energy at 298.15K	-209.504893
HF Energy	-208.803478
Nuclear repulsion energy	146.454777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3153	1.66
2	A'	3235	3081	0.45
3	A'	3199	3047	1.50
4	A'	2193	2089	2.11
5	A'	1509	1437	0.59
6	A'	1386	1320	0.29
7	A'	1231	1173	0.82
8	A'	1136	1082	0.48
9	A'	1068	1017	5.40
10	A'	984	937	21.68
11	A'	817	778	1.83
12	A'	762	726	2.65
13	A'	515	490	0.53
14	A'	204	195	3.01
15	A"	3298	3141	0.29
16	A"	3193	3042	4.43
17	A"	1459	1390	3.03
18	A"	1200	1143	0.65
19	A"	1113	1060	3.02
20	A"	1078	1026	5.39
21	A"	922	878	1.69
22	A"	833	793	7.82
23	A"	530	505	0.21
24	A"	211	201	1.76

Atom	x (Å)	y (Å)	z (Å)
H1	-1.793	1.039	1.274
H2	-1.793	1.039	-1.274
H3	-1.247	-0.730	-1.264
H4	-1.247	-0.730	1.264
H5	0.271	1.694	0.000
C6	0.000	0.635	0.000
N7	2.033	-1.042	0.000
C8	1.124	-0.278	0.000
C9	-1.264	0.236	0.753
C10	-1.264	0.236	-0.753

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5477	3.1410	1.8505	2.5125	2.2360	4.5369	3.4447	1.0927	2.2435
H2	2.5477		1.8505	3.1410	2.5125	2.2360	4.5369	3.4447	2.2435	1.0927
H3	3.1410	1.8505		2.5284	3.1270	2.2395	3.5287	2.7251	2.2370	1.0928
H4	1.8505	3.1410	2.5284		3.1270	2.2395	3.5287	2.7251	1.0928	2.2370
H5	2.5125	2.5125	3.1270	3.1270		1.0934	3.2538	2.1487	2.2471	2.2471
C6	2.2360	2.2360	2.2395	2.2395	1.0934		2.6349	1.4483	1.5245	1.5245
N7	4.5369	4.5369	3.5287	3.5287	3.2538	2.6349		1.1866	3.6150	3.6150
C8	3.4447	3.4447	2.7251	2.7251	2.1487	1.4483	1.1866		2.5567	2.5567
C9	1.0927	2.2435	2.2370	1.0928	2.2471	1.5245	3.6150	2.5567		1.5069
C10	2.2435	1.0927	1.0928	2.2370	2.2471	1.5245	3.6150	2.5567	1.5069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.711	H1	C9	C6	116.403
H1	C9	C10	118.441	H2	C10	H3	115.711
H2	C10	C6	116.403	H2	C10	C9	118.441
H3	C10	C6	116.697	H3	C10	C9	117.864
H4	C9	C6	116.697	H4	C9	C10	117.864
H5	C6	C8	114.707	H5	C6	C9	117.320
H5	C6	C10	117.320	C6	C8	N7	179.005
C6	C9	C10	60.381	C6	C10	C9	60.381
C8	C6	C9	118.613	C8	C6	C10	118.613
C9	C6	C10	59.239

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)