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	hartrees
Energy at 0K	-174.058756
Energy at 298.15K	-174.069236
HF Energy	-173.309087
Nuclear repulsion energy	131.185639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3362	0.01
2	A'	3177	3009	24.76
3	A'	3094	2930	51.93
4	A'	3090	2927	13.96
5	A'	3080	2917	9.70
6	A'	1701	1612	22.54
7	A'	1547	1465	3.44
8	A'	1533	1452	1.03
9	A'	1523	1442	0.07
10	A'	1447	1371	1.87
11	A'	1436	1361	5.54
12	A'	1353	1281	8.80
13	A'	1173	1111	5.94
14	A'	1128	1068	12.55
15	A'	1065	1009	1.59
16	A'	957	906	128.56
17	A'	878	832	52.87
18	A'	453	429	2.41
19	A'	268	254	3.18
20	A"	3634	3442	0.29
21	A"	3171	3004	41.45
22	A"	3142	2976	30.25
23	A"	3116	2952	1.36
24	A"	1536	1455	5.86
25	A"	1420	1345	0.25
26	A"	1349	1277	0.42
27	A"	1269	1202	0.01
28	A"	1053	997	0.07
29	A"	874	827	1.37
30	A"	754	714	2.03
31	A"	295	279	42.30
32	A"	233	221	5.48
33	A"	135	128	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.435	1.279	0.000
C2	0.000	0.749	0.000
C3	-0.055	-0.781	0.000
N4	-1.395	-1.370	0.000
H5	1.458	2.371	0.000
H6	1.979	0.933	0.882
H7	1.979	0.933	-0.882
H8	-0.537	1.126	0.878
H9	-0.537	1.126	-0.878
H10	0.480	-1.162	-0.875
H11	0.480	-1.162	0.875
H12	-1.907	-1.030	-0.806
H13	-1.907	-1.030	0.806

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5295	2.5428	3.8769	1.0917	1.0930	1.0930	2.1635	2.1635	2.7642	2.7642	4.1416	4.1416
C2	1.5295		1.5314	2.5378	2.1808	2.1749	2.1749	1.0956	1.0956	2.1569	2.1569	2.7303	2.7303
C3	2.5428	1.5314		1.4638	3.4965	2.8031	2.8031	2.1539	2.1539	1.0948	1.0948	2.0352	2.0352
N4	3.8769	2.5378	1.4638		4.7054	4.1802	4.1802	2.7822	2.7822	2.0800	2.0800	1.0141	1.0141
H5	1.0917	2.1808	3.4965	4.7054		1.7653	1.7653	2.5100	2.5100	3.7693	3.7693	4.8522	4.8522
H6	1.0930	2.1749	2.8031	4.1802	1.7653		1.7643	2.5236	3.0766	3.1192	2.5769	4.6704	4.3551
H7	1.0930	2.1749	2.8031	4.1802	1.7653	1.7643		3.0766	2.5236	2.5769	3.1192	4.3551	4.6704
H8	2.1635	1.0956	2.1539	2.7822	2.5100	2.5236	3.0766		1.7554	3.0570	2.5043	3.0601	2.5559
H9	2.1635	1.0956	2.1539	2.7822	2.5100	3.0766	2.5236	1.7554		2.5043	3.0570	2.5559	3.0601
H10	2.7642	2.1569	1.0948	2.0800	3.7693	3.1192	2.5769	3.0570	2.5043		1.7509	2.3920	2.9233
H11	2.7642	2.1569	1.0948	2.0800	3.7693	2.5769	3.1192	2.5043	3.0570	1.7509		2.9233	2.3920
H12	4.1416	2.7303	2.0352	1.0141	4.8522	4.6704	4.3551	3.0601	2.5559	2.3920	2.9233		1.6129
H13	4.1416	2.7303	2.0352	1.0141	4.8522	4.3551	4.6704	2.5559	3.0601	2.9233	2.3920	1.6129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.344	C1	C2	H8	109.900
C1	C2	H9	109.900	C2	C1	H5	111.515
C2	C1	H6	110.962	C2	C1	H7	110.962
C2	C3	N4	115.818	C2	C3	H10	109.301
C2	C3	H11	109.301	C3	C2	H8	109.022
C3	C2	H9	109.022	C3	N4	H12	109.085
C3	N4	H13	109.085	N4	C3	H10	107.899
N4	C3	H11	107.899	H5	C1	H6	107.807
H5	C1	H7	107.807	H6	C1	H7	107.620
H8	C2	H9	106.475	H10	C3	H11	106.192
H12	N4	H13	105.352

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

using model chemistry: CCD/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 NH2CH2CH2CH3 (1-Propanamine)

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

States and conformations

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