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	hartrees
Energy at 0K	-172.699133
Energy at 298.15K	-172.709647
HF Energy	-172.322917
Nuclear repulsion energy	130.050240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3499	3256	1.53
2	A'	3178	2957	31.56
3	A'	3118	2902	47.20
4	A'	3109	2893	9.78
5	A'	3102	2887	19.36
6	A'	1789	1665	20.27
7	A'	1620	1507	5.74
8	A'	1607	1495	1.25
9	A'	1595	1485	0.31
10	A'	1515	1410	6.02
11	A'	1460	1358	1.06
12	A'	1405	1307	2.30
13	A'	1184	1102	3.01
14	A'	1097	1021	2.98
15	A'	1031	959	5.31
16	A'	924	860	69.00
17	A'	802	746	216.82
18	A'	457	425	2.39
19	A'	274	255	4.44
20	A"	3593	3343	0.89
21	A"	3177	2956	73.16
22	A"	3159	2940	9.14
23	A"	3131	2913	1.47
24	A"	1617	1504	7.81
25	A"	1450	1349	0.74
26	A"	1402	1305	0.32
27	A"	1323	1231	0.02
28	A"	1093	1017	0.01
29	A"	911	848	2.11
30	A"	775	721	2.75
31	A"	308	286	59.19
32	A"	237	220	5.65
33	A"	139	130	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.452	1.294	0.000
C2	0.000	0.762	0.000
C3	-0.048	-0.786	0.000
N4	-1.413	-1.374	0.000
H5	1.471	2.386	0.000
H6	1.987	0.941	0.886
H7	1.987	0.941	-0.886
H8	-0.532	1.132	0.883
H9	-0.532	1.132	-0.883
H10	0.479	-1.163	-0.881
H11	0.479	-1.163	0.881
H12	-1.934	-1.103	-0.831
H13	-1.934	-1.103	0.831

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5461	2.5644	3.9150	1.0924	1.0935	1.0935	2.1771	2.1771	2.7859	2.7859	4.2310	4.2310
C2	1.5461		1.5487	2.5613	2.1916	2.1825	2.1825	1.0952	1.0952	2.1707	2.1707	2.8125	2.8125
C3	2.5644	1.5487		1.4864	3.5174	2.8119	2.8119	2.1665	2.1665	1.0934	1.0934	2.0856	2.0856
N4	3.9150	2.5613	1.4864		4.7393	4.2075	4.2075	2.7999	2.7999	2.0974	2.0974	1.0179	1.0179
H5	1.0924	2.1916	3.5174	4.7393		1.7720	1.7720	2.5227	2.5227	3.7896	3.7896	4.9460	4.9460
H6	1.0935	2.1825	2.8119	4.2075	1.7720		1.7716	2.5258	3.0835	3.1340	2.5887	4.7433	4.4221
H7	1.0935	2.1825	2.8119	4.2075	1.7720	1.7716		3.0835	2.5258	2.5887	3.1340	4.4221	4.7433
H8	2.1771	1.0952	2.1665	2.7999	2.5227	2.5258	3.0835		1.7657	3.0663	2.5084	3.1466	2.6394
H9	2.1771	1.0952	2.1665	2.7999	2.5227	3.0835	2.5258	1.7657		2.5084	3.0663	2.6394	3.1466
H10	2.7859	2.1707	1.0934	2.0974	3.7896	3.1340	2.5887	3.0663	2.5084		1.7613	2.4145	2.9593
H11	2.7859	2.1707	1.0934	2.0974	3.7896	2.5887	3.1340	2.5084	3.0663	1.7613		2.9593	2.4145
H12	4.2310	2.8125	2.0856	1.0179	4.9460	4.7433	4.4221	3.1466	2.6394	2.4145	2.9593		1.6621
H13	4.2310	2.8125	2.0856	1.0179	4.9460	4.4221	4.7433	2.6394	3.1466	2.9593	2.4145	1.6621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.912	C1	C2	H8	109.848
C1	C2	H9	109.848	C2	C1	H5	111.155
C2	C1	H6	110.376	C2	C1	H7	110.376
C2	C3	N4	115.093	C2	C3	H10	109.272
C2	C3	H11	109.272	C3	C2	H8	108.846
C3	C2	H9	108.846	C3	N4	H12	111.397
C3	N4	H13	111.397	N4	C3	H10	107.812
N4	C3	H11	107.812	H5	C1	H6	108.321
H5	C1	H7	108.321	H6	C1	H7	108.202
H8	C2	H9	107.426	H10	C3	H11	107.299
H12	N4	H13	109.454

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)

using model chemistry: CID/3-21G*

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 NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)