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	hartrees
Energy at 0K	-173.858791
Energy at 298.15K	-173.869330
HF Energy	-173.281495
Nuclear repulsion energy	131.205437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3302	0.28
2	A'	3196	3011	26.74
3	A'	3105	2925	41.90
4	A'	3101	2921	28.54
5	A'	3086	2908	13.66
6	A'	1727	1627	26.49
7	A'	1574	1483	4.68
8	A'	1560	1470	1.39
9	A'	1550	1461	0.16
10	A'	1472	1387	3.21
11	A'	1447	1364	5.08
12	A'	1366	1287	7.91
13	A'	1187	1118	7.02
14	A'	1136	1071	10.06
15	A'	1082	1019	2.58
16	A'	966	910	150.61
17	A'	889	838	69.14
18	A'	460	433	3.10
19	A'	274	258	4.25
20	A"	3606	3397	0.02
21	A"	3191	3006	41.31
22	A"	3158	2976	38.80
23	A"	3130	2949	4.06
24	A"	1566	1476	7.44
25	A"	1429	1346	0.54
26	A"	1367	1288	0.47
27	A"	1291	1216	0.00
28	A"	1065	1004	0.05
29	A"	890	838	1.78
30	A"	766	722	2.35
31	A"	315	296	54.09
32	A"	241	227	5.96
33	A"	142	134	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	1.426	1.288	0.000
C2	0.000	0.748	0.000
C3	-0.051	-0.779	0.000
N4	-1.388	-1.377	0.000
H5	1.441	2.381	0.000
H6	1.973	0.945	0.884
H7	1.973	0.945	-0.884
H8	-0.541	1.121	0.879
H9	-0.541	1.121	-0.879
H10	0.484	-1.161	-0.877
H11	0.484	-1.161	0.877
H12	-1.904	-1.044	-0.813
H13	-1.904	-1.044	0.813

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5247	2.5402	3.8748	1.0931	1.0941	1.0941	2.1606	2.1606	2.7665	2.7665	4.1458	4.1458
C2	1.5247		1.5276	2.5374	2.1779	2.1704	2.1704	1.0974	1.0974	2.1557	2.1557	2.7381	2.7381
C3	2.5402	1.5276		1.4640	3.4943	2.8013	2.8013	2.1499	2.1499	1.0962	1.0962	2.0410	2.0410
N4	3.8748	2.5374	1.4640		4.7031	4.1785	4.1785	2.7798	2.7798	2.0779	2.0779	1.0193	1.0193
H5	1.0931	2.1779	3.4943	4.7031		1.7677	1.7677	2.5075	2.5075	3.7723	3.7723	4.8560	4.8560
H6	1.0941	2.1704	2.8013	4.1785	1.7677		1.7671	2.5194	3.0748	3.1228	2.5790	4.6759	4.3578
H7	1.0941	2.1704	2.8013	4.1785	1.7677	1.7671		3.0748	2.5194	2.5790	3.1228	4.3578	4.6759
H8	2.1606	1.0974	2.1499	2.7798	2.5075	2.5194	3.0748		1.7581	3.0564	2.5014	3.0674	2.5593
H9	2.1606	1.0974	2.1499	2.7798	2.5075	3.0748	2.5194	1.7581		2.5014	3.0564	2.5593	3.0674
H10	2.7665	2.1557	1.0962	2.0779	3.7723	3.1228	2.5790	3.0564	2.5014		1.7544	2.3919	2.9281
H11	2.7665	2.1557	1.0962	2.0779	3.7723	2.5790	3.1228	2.5014	3.0564	1.7544		2.9281	2.3919
H12	4.1458	2.7381	2.0410	1.0193	4.8560	4.6759	4.3578	3.0674	2.5593	2.3919	2.9281		1.6261
H13	4.1458	2.7381	2.0410	1.0193	4.8560	4.3578	4.6759	2.5593	3.0674	2.9281	2.3919	1.6261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.656	C1	C2	H8	109.899
C1	C2	H9	109.899	C2	C1	H5	111.535
C2	C1	H6	110.871	C2	C1	H7	110.871
C2	C3	N4	116.012	C2	C3	H10	109.396
C2	C3	H11	109.396	C3	C2	H8	108.866
C3	C2	H9	108.866	C3	N4	H12	109.244
C3	N4	H13	109.244	N4	C3	H10	107.644
N4	C3	H11	107.644	H5	C1	H6	107.841
H5	C1	H7	107.841	H6	C1	H7	107.724
H8	C2	H9	106.456	H10	C3	H11	106.307
H12	N4	H13	105.811

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

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

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