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	hartrees
Energy at 0K	-173.245290
Energy at 298.15K	-173.255726
HF Energy	-173.115425
Nuclear repulsion energy	130.033544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3253	2.28
2	A'	3141	2990	31.41
3	A'	3076	2929	57.87
4	A'	3070	2923	11.33
5	A'	3060	2913	11.38
6	A'	1744	1660	17.72
7	A'	1592	1515	5.69
8	A'	1575	1500	1.18
9	A'	1561	1487	0.47
10	A'	1480	1409	6.06
11	A'	1421	1352	1.23
12	A'	1373	1307	2.30
13	A'	1158	1102	1.38
14	A'	1075	1023	3.38
15	A'	1013	965	2.50
16	A'	900	857	46.54
17	A'	743	707	240.01
18	A'	446	425	2.76
19	A'	265	252	4.84
20	A"	3514	3345	1.43
21	A"	3139	2989	70.78
22	A"	3120	2970	12.07
23	A"	3090	2942	1.56
24	A"	1589	1513	8.25
25	A"	1422	1353	0.73
26	A"	1375	1309	0.49
27	A"	1293	1231	0.10
28	A"	1073	1021	0.03
29	A"	893	850	2.16
30	A"	766	729	3.32
31	A"	307	293	56.64
32	A"	232	220	6.24
33	A"	137	130	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	1.450	1.293	0.000
C2	0.000	0.763	0.000
C3	-0.049	-0.784	0.000
N4	-1.411	-1.377	0.000
H5	1.473	2.386	0.000
H6	1.986	0.939	0.886
H7	1.986	0.939	-0.886
H8	-0.533	1.134	0.884
H9	-0.533	1.134	-0.884
H10	0.480	-1.160	-0.882
H11	0.480	-1.160	0.882
H12	-1.935	-1.102	-0.834
H13	-1.935	-1.102	0.834

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5438	2.5618	3.9133	1.0934	1.0945	1.0945	2.1766	2.1766	2.7814	2.7814	4.2300	4.2300
C2	1.5438		1.5484	2.5636	2.1918	2.1818	2.1818	1.0965	1.0965	2.1696	2.1696	2.8144	2.8144
C3	2.5618	1.5484		1.4849	3.5170	2.8100	2.8100	2.1667	2.1667	1.0947	1.0947	2.0865	2.0865
N4	3.9133	2.5636	1.4849		4.7412	4.2055	4.2055	2.8033	2.8033	2.0971	2.0971	1.0227	1.0227
H5	1.0934	2.1918	3.5170	4.7412		1.7729	1.7729	2.5244	2.5244	3.7868	3.7868	4.9479	4.9479
H6	1.0945	2.1818	2.8100	4.2055	1.7729		1.7723	2.5262	3.0846	3.1303	2.5834	4.7434	4.4210
H7	1.0945	2.1818	2.8100	4.2055	1.7729	1.7723		3.0846	2.5262	2.5834	3.1303	4.4210	4.7434
H8	2.1766	1.0965	2.1667	2.8033	2.5244	2.5262	3.0846		1.7679	3.0667	2.5075	3.1493	2.6402
H9	2.1766	1.0965	2.1667	2.8033	2.5244	3.0846	2.5262	1.7679		2.5075	3.0667	2.6402	3.1493
H10	2.7814	2.1696	1.0947	2.0971	3.7868	3.1303	2.5834	3.0667	2.5075		1.7631	2.4163	2.9628
H11	2.7814	2.1696	1.0947	2.0971	3.7868	2.5834	3.1303	2.5075	3.0667	1.7631		2.9628	2.4163
H12	4.2300	2.8144	2.0865	1.0227	4.9479	4.7434	4.4210	3.1493	2.6402	2.4163	2.9628		1.6674
H13	4.2300	2.8144	2.0865	1.0227	4.9479	4.4210	4.7434	2.6402	3.1493	2.9628	2.4163	1.6674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.882	C1	C2	H8	109.895
C1	C2	H9	109.895	C2	C1	H5	111.275
C2	C1	H6	110.420	C2	C1	H7	110.420
C2	C3	N4	115.358	C2	C3	H10	109.137
C2	C3	H11	109.137	C3	C2	H8	108.805
C3	C2	H9	108.805	C3	N4	H12	111.281
C3	N4	H13	111.281	N4	C3	H10	107.816
N4	C3	H11	107.816	H5	C1	H6	108.253
H5	C1	H7	108.253	H6	C1	H7	108.121
H8	C2	H9	107.446	H10	C3	H11	107.281
H12	N4	H13	109.205

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G

States and conformations

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