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	hartrees
Energy at 0K	-34.511946
Energy at 298.15K	-34.517454
Nuclear repulsion energy	77.256773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3407	3078	21.92
2	A'	3358	3033	2.58
3	A'	3307	2988	9.08
4	A'	2548	2301	47.07
5	A'	1642	1484	0.34
6	A'	1493	1348	1.96
7	A'	1294	1169	1.59
8	A'	1225	1107	1.10
9	A'	1182	1068	2.33
10	A'	1011	913	31.07
11	A'	859	776	3.76
12	A'	798	721	9.82
13	A'	570	515	1.08
14	A'	231	209	4.81
15	A"	3393	3065	0.19
16	A"	3299	2980	22.04
17	A"	1593	1439	1.13
18	A"	1302	1176	0.65
19	A"	1223	1105	0.75
20	A"	1203	1087	5.17
21	A"	1006	909	3.18
22	A"	884	799	11.43
23	A"	602	543	1.31
24	A"	235	213	3.22

Atom	x (Å)	y (Å)	z (Å)
H1	-1.801	0.872	1.265
H2	-1.801	0.872	-1.265
H3	-1.143	-0.820	-1.259
H4	-1.143	-0.820	1.259
H5	0.208	1.670	0.000
C6	0.000	0.615	0.000
N7	2.132	-0.872	0.000
C8	1.200	-0.217	0.000
C9	-1.223	0.124	0.750
C10	-1.223	0.124	-0.750

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5309	3.1096	1.8157	2.5056	2.2164	4.4849	3.4349	1.0766	2.2262
H2	2.5309		1.8157	3.1096	2.5056	2.2164	4.4849	3.4349	2.2262	1.0766
H3	3.1096	1.8157		2.5180	3.1006	2.2252	3.5094	2.7279	2.2216	1.0760
H4	1.8157	3.1096	2.5180		3.1006	2.2252	3.5094	2.7279	1.0760	2.2216
H5	2.5056	2.5056	3.1006	3.1006		1.0755	3.1876	2.1321	2.2359	2.2359
C6	2.2164	2.2164	2.2252	2.2252	1.0755		2.5992	1.4606	1.5160	1.5160
N7	4.4849	4.4849	3.5094	3.5094	3.1876	2.5992		1.1386	3.5791	3.5791
C8	3.4349	3.4349	2.7279	2.7279	2.1321	1.4606	1.1386		2.5595	2.5595
C9	1.0766	2.2262	2.2216	1.0760	2.2359	1.5160	3.5791	2.5595		1.5003
C10	2.2262	1.0766	1.0760	2.2216	2.2359	1.5160	3.5791	2.5595	1.5003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.018	H1	C9	C6	116.476
H1	C9	C10	118.596	H2	C10	H3	115.018
H2	C10	C6	116.476	H2	C10	C9	118.596
H3	C10	C6	117.286	H3	C10	C9	118.223
H4	C9	C6	117.286	H4	C9	C10	118.223
H5	C6	C8	113.551	H5	C6	C9	118.272
H5	C6	C10	118.272	C6	C8	N7	179.640
C6	C9	C10	60.341	C6	C10	C9	60.341
C8	C6	C9	118.595	C8	C6	C10	118.595
C9	C6	C10	59.318

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	H	0.202
2	H	0.202
3	H	0.215
4	H	0.215
5	H	0.251
6	C	-0.027
7	N	-0.088
8	C	-0.139
9	C	-0.416
10	C	-0.416

	x	y	z	Total
	-3.984	2.155	0.000	4.529
CHELPG
AIM
ESP

	x	y	z
x	7.816	-1.078	0.000
y	-1.078	5.781	0.000
z	0.000	0.000	5.515

<r²>	91.751
(<r²>)^1/2	9.579

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)