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	hartrees
Energy at 0K	-210.874072
Energy at 298.15K	-210.881295
HF Energy	-210.043498
Nuclear repulsion energy	153.166988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3128	3034
2	A'	3061	2968
3	A'	3052	2959
4	A'	3040	2947
5	A'	2178	2112
6	A'	1520	1474
7	A'	1505	1460
8	A'	1486	1441
9	A'	1430	1386
10	A'	1402	1359
11	A'	1304	1265
12	A'	1124	1090
13	A'	1069	1037
14	A'	957	928
15	A'	883	856
16	A'	517	501
17	A'	342	332
18	A'	162	157
19	A"	3124	3030
20	A"	3107	3013
21	A"	3090	2997
22	A"	1513	1467
23	A"	1335	1295
24	A"	1271	1232
25	A"	1134	1100
26	A"	879	852
27	A"	746	723
28	A"	367	356
29	A"	238	231
30	A"	94	92

Atom	x (Å)	y (Å)	z (Å)
N1	-2.632	0.337	0.000
C2	-1.466	0.486	0.000
C3	0.000	0.639	0.000
C4	0.730	-0.719	0.000
C5	2.252	-0.534	0.000
H6	0.287	1.224	0.885
H7	0.287	1.224	-0.885
H8	0.417	-1.291	0.883
H9	0.417	-1.291	-0.883
H10	2.763	-1.504	0.000
H11	2.577	0.023	0.889
H12	2.577	0.023	-0.889

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1757	2.6492	3.5240	4.9613	3.1759	3.1759	3.5669	3.5669	5.7004	5.2940	5.2940
C2	1.1757		1.4738	2.5046	3.8554	2.0970	2.0970	2.7348	2.7348	4.6735	4.1656	4.1656
C3	2.6492	1.4738		1.5414	2.5392	1.0985	1.0985	2.1625	2.1625	3.4964	2.7951	2.7951
C4	3.5240	2.5046	1.5414		1.5334	2.1799	2.1799	1.0978	1.0978	2.1792	2.1799	2.1799
C5	4.9613	3.8554	2.5392	1.5334		2.7812	2.7812	2.1732	2.1732	1.0962	1.0979	1.0979
H6	3.1759	2.0970	1.0985	2.1799	2.7812		1.7694	2.5177	3.0762	3.7886	2.5866	3.1362
H7	3.1759	2.0970	1.0985	2.1799	2.7812	1.7694		3.0762	2.5177	3.7886	3.1362	2.5866
H8	3.5669	2.7348	2.1625	1.0978	2.1732	2.5177	3.0762		1.7658	2.5162	2.5288	3.0877
H9	3.5669	2.7348	2.1625	1.0978	2.1732	3.0762	2.5177	1.7658		2.5162	3.0877	2.5288
H10	5.7004	4.6735	3.4964	2.1792	1.0962	3.7886	3.7886	2.5162	2.5162		1.7760	1.7760
H11	5.2940	4.1656	2.7951	2.1799	1.0979	2.5866	3.1362	2.5288	3.0877	1.7760		1.7778
H12	5.2940	4.1656	2.7951	2.1799	1.0979	3.1362	2.5866	3.0877	2.5288	1.7760	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.681	C2	C3	C4	112.320
C2	C3	H6	108.340	C2	C3	H7	108.340
C3	C4	C5	111.346	C3	C4	H8	108.881
C3	C4	H9	108.881	C4	C3	H6	110.198
C4	C3	H7	110.198	C4	C5	H10	110.843
C4	C5	H11	110.797	C4	C5	H12	110.797
C5	C4	H8	110.272	C5	C4	H9	110.272
H6	C3	H7	107.288	H8	C4	H9	107.074
H10	C5	H11	108.086	H10	C5	H12	108.086
H11	C5	H12	108.121

All results from a given calculation for CH₃CH₂CH₂CN (Butanenitrile)

using model chemistry: MP4/6-311G**

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 CH3CH2CH2CN (Butanenitrile)

using model chemistry: MP4/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂CH₂CN (Butanenitrile)