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	hartrees
Energy at 0K	-210.972264
Energy at 298.15K	-210.979498
HF Energy	-210.043776
Nuclear repulsion energy	153.309072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3133	3012
2	A'	3066	2948
3	A'	3058	2940
4	A'	3045	2928
5	A'	2185	2101
6	A'	1519	1461
7	A'	1505	1447
8	A'	1485	1428
9	A'	1431	1376
10	A'	1404	1350
11	A'	1306	1255
12	A'	1126	1083
13	A'	1073	1031
14	A'	961	924
15	A'	885	851
16	A'	520	500
17	A'	343	330
18	A'	162	156
19	A"	3130	3010
20	A"	3112	2993
21	A"	3096	2977
22	A"	1512	1454
23	A"	1336	1285
24	A"	1271	1222
25	A"	1134	1091
26	A"	879	845
27	A"	746	718
28	A"	371	357
29	A"	238	229
30	A"	95	91

Atom	x (Å)	y (Å)	z (Å)
N1	-2.629	0.340	0.000
C2	-1.464	0.485	0.000
C3	0.000	0.638	0.000
C4	0.729	-0.718	0.000
C5	2.250	-0.535	0.000
H6	0.287	1.222	0.884
H7	0.287	1.222	-0.884
H8	0.415	-1.290	0.882
H9	0.415	-1.290	-0.882
H10	2.759	-1.505	0.000
H11	2.576	0.021	0.888
H12	2.576	0.021	-0.888

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1747	2.6462	3.5216	4.9569	3.1724	3.1724	3.5645	3.5645	5.6960	5.2901	5.2901
C2	1.1747		1.4716	2.5017	3.8509	2.0950	2.0950	2.7316	2.7316	4.6687	4.1620	4.1620
C3	2.6462	1.4716		1.5397	2.5368	1.0981	1.0981	2.1606	2.1606	3.4937	2.7936	2.7936
C4	3.5216	2.5017	1.5397		1.5313	2.1781	2.1781	1.0975	1.0975	2.1772	2.1783	2.1783
C5	4.9569	3.8509	2.5368	1.5313		2.7789	2.7789	2.1713	2.1713	1.0960	1.0975	1.0975
H6	3.1724	2.0950	1.0981	2.1781	2.7789		1.7684	2.5160	3.0742	3.7861	2.5851	3.1344
H7	3.1724	2.0950	1.0981	2.1781	2.7789	1.7684		3.0742	2.5160	3.7861	3.1344	2.5851
H8	3.5645	2.7316	2.1606	1.0975	2.1713	2.5160	3.0742		1.7646	2.5141	2.5275	3.0860
H9	3.5645	2.7316	2.1606	1.0975	2.1713	3.0742	2.5160	1.7646		2.5141	3.0860	2.5275
H10	5.6960	4.6687	3.4937	2.1772	1.0960	3.7861	3.7861	2.5141	2.5141		1.7753	1.7753
H11	5.2901	4.1620	2.7936	2.1783	1.0975	2.5851	3.1344	2.5275	3.0860	1.7753		1.7767
H12	5.2901	4.1620	2.7936	2.1783	1.0975	3.1344	2.5851	3.0860	2.5275	1.7753	1.7767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.835	C2	C3	C4	112.335
C2	C3	H6	108.351	C2	C3	H7	108.351
C3	C4	C5	111.392	C3	C4	H8	108.868
C3	C4	H9	108.868	C4	C3	H6	110.194
C4	C3	H7	110.194	C4	C5	H10	110.840
C4	C5	H11	110.838	C4	C5	H12	110.838
C5	C4	H8	110.287	C5	C4	H9	110.287
H6	C3	H7	107.256	H8	C4	H9	107.021
H10	C5	H11	108.065	H10	C5	H12	108.065
H11	C5	H12	108.078

All results from a given calculation for CH₃CH₂CH₂CN (Butanenitrile)

using model chemistry: MP4=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 CH3CH2CH2CN (Butanenitrile)

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

States and conformations

All results from a given calculation for CH₃CH₂CH₂CN (Butanenitrile)