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	hartrees
Energy at 0K	-211.012600
Energy at 298.15K	-211.019831
HF Energy	-210.066585
Nuclear repulsion energy	153.809367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3125	3029
2	A'	3059	2965
3	A'	3049	2955
4	A'	3037	2943
5	A'	2178	2111
6	A'	1514	1467
7	A'	1499	1453
8	A'	1477	1432
9	A'	1416	1373
10	A'	1387	1344
11	A'	1300	1260
12	A'	1120	1085
13	A'	1064	1031
14	A'	956	926
15	A'	879	852
16	A'	516	500
17	A'	341	330
18	A'	162	157
19	A"	3119	3023
20	A"	3103	3007
21	A"	3086	2991
22	A"	1508	1461
23	A"	1331	1290
24	A"	1263	1224
25	A"	1130	1095
26	A"	872	845
27	A"	743	720
28	A"	365	354
29	A"	243	236
30	A"	98	95

Atom	x (Å)	y (Å)	z (Å)
N1	-2.622	0.329	0.000
C2	-1.460	0.480	0.000
C3	0.000	0.637	0.000
C4	0.727	-0.716	0.000
C5	2.242	-0.525	0.000
H6	0.284	1.220	0.880
H7	0.284	1.220	-0.880
H8	0.415	-1.287	0.878
H9	0.415	-1.287	-0.878
H10	2.758	-1.486	0.000
H11	2.567	0.031	0.883
H12	2.567	0.031	-0.883

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1719	2.6396	3.5082	4.9384	3.1641	3.1641	3.5502	3.5502	5.6776	5.2712	5.2712
C2	1.1719		1.4679	2.4928	3.8360	2.0885	2.0885	2.7220	2.7220	4.6536	4.1463	4.1463
C3	2.6396	1.4679		1.5356	2.5253	1.0934	1.0934	2.1548	2.1548	3.4804	2.7811	2.7811
C4	3.5082	2.4928	1.5356		1.5270	2.1723	2.1723	1.0926	1.0926	2.1719	2.1726	2.1726
C5	4.9384	3.8360	2.5253	1.5270		2.7667	2.7667	2.1655	2.1655	1.0909	1.0928	1.0928
H6	3.1641	2.0885	1.0934	2.1723	2.7667		1.7601	2.5106	3.0647	3.7708	2.5738	3.1200
H7	3.1641	2.0885	1.0934	2.1723	2.7667	1.7601		3.0647	2.5106	3.7708	3.1200	2.5738
H8	3.5502	2.7220	2.1548	1.0926	2.1655	2.5106	3.0647		1.7552	2.5096	2.5227	3.0766
H9	3.5502	2.7220	2.1548	1.0926	2.1655	3.0647	2.5106	1.7552		2.5096	3.0766	2.5227
H10	5.6776	4.6536	3.4804	2.1719	1.0909	3.7708	3.7708	2.5096	2.5096		1.7658	1.7658
H11	5.2712	4.1463	2.7811	2.1726	1.0928	2.5738	3.1200	2.5227	3.0766	1.7658		1.7669
H12	5.2712	4.1463	2.7811	2.1726	1.0928	3.1200	2.5738	3.0766	2.5227	1.7658	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.675	C2	C3	C4	112.165
C2	C3	H6	108.364	C2	C3	H7	108.364
C3	C4	C5	111.088	C3	C4	H8	108.973
C3	C4	H9	108.973	C4	C3	H6	110.299
C4	C3	H7	110.299	C4	C5	H10	111.025
C4	C5	H11	110.967	C4	C5	H12	110.967
C5	C4	H8	110.410	C5	C4	H9	110.410
H6	C3	H7	107.192	H8	C4	H9	106.875
H10	C5	H11	107.927	H10	C5	H12	107.927
H11	C5	H12	107.889

All results from a given calculation for CH₃CH₂CH₂CN (Butanenitrile)

using model chemistry: MP4/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂CH₂CN (Butanenitrile)