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	hartrees
Energy at 0K	-209.639414
Energy at 298.15K	-209.645499
HF Energy	-208.830693
Nuclear repulsion energy	161.129192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3725	3518	82.86
2	A₁	3331	3146	0.07
3	A₁	3310	3126	0.66
4	A₁	1517	1433	5.95
5	A₁	1439	1359	4.72
6	A₁	1182	1117	2.33
7	A₁	1119	1057	4.41
8	A₁	1056	997	23.25
9	A₁	890	841	0.09
10	A₂	854	807	0.00
11	A₂	675	637	0.00
12	A₂	623	588	0.00
13	B₁	808	763	13.79
14	B₁	739	698	108.61
15	B₁	650	614	5.96
16	B₁	513	484	63.10
17	B₂	3323	3139	0.82
18	B₂	3300	3117	1.21
19	B₂	1569	1482	3.50
20	B₂	1499	1416	12.56
21	B₂	1314	1241	1.91
22	B₂	1184	1118	2.70
23	B₂	1077	1017	21.90
24	B₂	867	819	0.84

Atom	y (Å)	z (Å)
N1	0.000	1.117
H2	0.000	2.122
C3	1.122	0.334
C4	-1.122	0.334
C5	0.708	-0.984
C6	-0.708	-0.984
H7	2.105	0.774
H8	-2.105	0.774
H9	1.356	-1.846
H10	-1.356	-1.846

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0051	1.3681	1.3681	2.2174	2.2174	2.1330	2.1330	3.2582	3.2582
H2	1.0051		2.1107	2.1107	3.1860	3.1860	2.4997	2.4997	4.1930	4.1930
C3	1.3681	2.1107		2.2445	1.3821	2.2560	1.0770	3.2574	2.1925	3.3008
C4	1.3681	2.1107	2.2445		2.2560	1.3821	3.2574	1.0770	3.3008	2.1925
C5	2.2174	3.1860	1.3821	2.2560		1.4164	2.2460	3.3179	1.0779	2.2370
C6	2.2174	3.1860	2.2560	1.3821	1.4164		3.3179	2.2460	2.2370	1.0779
H7	2.1330	2.4997	1.0770	3.2574	2.2460	3.3179		4.2106	2.7248	4.3412
H8	2.1330	2.4997	3.2574	1.0770	3.3179	2.2460	4.2106		4.3412	2.7248
H9	3.2582	4.1930	2.1925	3.3008	1.0779	2.2370	2.7248	4.3412		2.7126
H10	3.2582	4.1930	3.3008	2.1925	2.2370	1.0779	4.3412	2.7248	2.7126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.459	N1	C3	H7	121.003
N1	C4	C6	107.459	N1	C4	H8	121.003
H2	N1	C3	124.889	H2	N1	C4	124.889
C3	N1	C4	110.221	C3	C5	C6	107.430
C3	C5	H9	125.610	C4	C6	C5	107.430
C4	C6	H10	125.610	C5	C3	H7	131.538
C5	C6	H10	126.960	C6	C4	H8	131.538
C6	C5	H9	126.960

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2/6-31G(2df,p)

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 (Pyrrole)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)