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	hartrees
Energy at 0K	-174.027080
Energy at 298.15K	-174.037425
HF Energy	-173.309200
Nuclear repulsion energy	130.022583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3444	3364
2	A'	3137	3065
3	A'	3054	2983
4	A'	3048	2977
5	A'	3030	2960
6	A'	1718	1679
7	A'	1555	1519
8	A'	1542	1506
9	A'	1533	1497
10	A'	1457	1423
11	A'	1434	1401
12	A'	1351	1320
13	A'	1176	1149
14	A'	1118	1092
15	A'	1066	1041
16	A'	967	945
17	A'	882	861
18	A'	453	443
19	A'	270	264
20	A"	3537	3455
21	A"	3131	3058
22	A"	3099	3027
23	A"	3068	2997
24	A"	1546	1511
25	A"	1417	1384
26	A"	1350	1319
27	A"	1278	1248
28	A"	1054	1030
29	A"	878	858
30	A"	755	737
31	A"	311	304
32	A"	235	230
33	A"	136	133

Atom	x (Å)	y (Å)	z (Å)
C1	1.446	1.288	0.000
C2	0.000	0.758	0.000
C3	-0.055	-0.783	0.000
N4	-1.406	-1.383	0.000
H5	1.472	2.392	0.000
H6	1.995	0.935	0.894
H7	1.995	0.935	-0.894
H8	-0.542	1.137	0.890
H9	-0.542	1.137	-0.890
H10	0.483	-1.170	-0.888
H11	0.483	-1.170	0.888
H12	-1.927	-1.046	-0.815
H13	-1.927	-1.046	0.815

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5402	2.5570	3.9067	1.1047	1.1063	1.1063	2.1832	2.1832	2.7851	2.7851	4.1816	4.1816
C2	1.5402		1.5413	2.5605	2.1994	2.1928	2.1928	1.1087	1.1087	2.1765	2.1765	2.7621	2.7621
C3	2.5570	1.5413		1.4783	3.5226	2.8193	2.8193	2.1714	2.1714	1.1075	1.1075	2.0589	2.0589
N4	3.9067	2.5605	1.4783		4.7463	4.2109	4.2109	2.8084	2.8084	2.0973	2.0973	1.0245	1.0245
H5	1.1047	2.1994	3.5226	4.7463		1.7874	1.7874	2.5340	2.5340	3.8020	3.8020	4.9023	4.9023
H6	1.1063	2.1928	2.8193	4.2109	1.7874		1.7875	2.5444	3.1072	3.1449	2.5918	4.7139	4.3939
H7	1.1063	2.1928	2.8193	4.2109	1.7874	1.7875		3.1072	2.5444	2.5918	3.1449	4.3939	4.7139
H8	2.1832	1.1087	2.1714	2.8084	2.5340	2.5444	3.1072		1.7796	3.0874	2.5245	3.0968	2.5862
H9	2.1832	1.1087	2.1714	2.8084	2.5340	3.1072	2.5444	1.7796		2.5245	3.0874	2.5862	3.0968
H10	2.7851	2.1765	1.1075	2.0973	3.8020	3.1449	2.5918	3.0874	2.5245		1.7751	2.4138	2.9531
H11	2.7851	2.1765	1.1075	2.0973	3.8020	2.5918	3.1449	2.5245	3.0874	1.7751		2.9531	2.4138
H12	4.1816	2.7621	2.0589	1.0245	4.9023	4.7139	4.3939	3.0968	2.5862	2.4138	2.9531		1.6304
H13	4.1816	2.7621	2.0589	1.0245	4.9023	4.3939	4.7139	2.5862	3.0968	2.9531	2.4138	1.6304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.156	C1	C2	H8	109.940
C1	C2	H9	109.940	C2	C1	H5	111.460
C2	C1	H6	110.842	C2	C1	H7	110.842
C2	C3	N4	115.969	C2	C3	H10	109.418
C2	C3	H11	109.418	C3	C2	H8	108.951
C3	C2	H9	108.951	C3	N4	H12	109.358
C3	N4	H13	109.358	N4	C3	H10	107.544
N4	C3	H11	107.544	H5	C1	H6	107.884
H5	C1	H7	107.884	H6	C1	H7	107.781
H8	C2	H9	106.745	H10	C3	H11	106.528
H12	N4	H13	105.445

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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