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	hartrees
Energy at 0K	-174.369468
Energy at 298.15K	-174.379890
HF Energy	-174.137586
Nuclear repulsion energy	131.215846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3510	3349	0.65
2	A'	3128	2985	35.81
3	A'	3055	2915	74.00
4	A'	3051	2911	11.13
5	A'	3037	2898	17.73
6	A'	1673	1597	27.09
7	A'	1526	1457	6.19
8	A'	1512	1442	0.67
9	A'	1501	1433	0.04
10	A'	1431	1366	4.24
11	A'	1419	1354	4.97
12	A'	1346	1285	6.65
13	A'	1151	1099	3.25
14	A'	1099	1049	14.75
15	A'	1041	993	0.41
16	A'	921	878	87.27
17	A'	838	800	123.35
18	A'	449	428	3.35
19	A'	267	255	4.66
20	A"	3596	3432	0.10
21	A"	3121	2978	69.16
22	A"	3097	2956	30.27
23	A"	3067	2926	2.91
24	A"	1518	1448	7.46
25	A"	1402	1338	0.21
26	A"	1338	1277	0.48
27	A"	1258	1200	0.00
28	A"	1046	998	0.04
29	A"	873	833	1.17
30	A"	758	724	1.21
31	A"	284	271	43.71
32	A"	227	217	7.11
33	A"	130	124	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.428	1.291	0.000
C2	0.000	0.751	0.000
C3	-0.053	-0.778	0.000
N4	-1.387	-1.378	0.000
H5	1.442	2.381	0.000
H6	1.975	0.951	0.881
H7	1.975	0.951	-0.881
H8	-0.538	1.123	0.877
H9	-0.538	1.123	-0.877
H10	0.482	-1.157	-0.874
H11	0.482	-1.157	0.874
H12	-1.910	-1.077	-0.814
H13	-1.910	-1.077	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5265	2.5446	3.8789	1.0900	1.0914	1.0914	2.1586	2.1586	2.7661	2.7661	4.1729	4.1729
C2	1.5265		1.5295	2.5404	2.1771	2.1718	2.1718	1.0939	1.0939	2.1529	2.1529	2.7663	2.7663
C3	2.5446	1.5295		1.4623	3.4954	2.8072	2.8072	2.1490	2.1490	1.0926	1.0926	2.0494	2.0494
N4	3.8789	2.5404	1.4623		4.7049	4.1837	4.1837	2.7830	2.7830	2.0750	2.0750	1.0130	1.0130
H5	1.0900	2.1771	3.4954	4.7049		1.7618	1.7618	2.5045	2.5045	3.7689	3.7689	4.8851	4.8851
H6	1.0914	2.1718	2.8072	4.1837	1.7618		1.7617	2.5187	3.0713	3.1228	2.5833	4.6991	4.3835
H7	1.0914	2.1718	2.8072	4.1837	1.7618	1.7617		3.0713	2.5187	2.5833	3.1228	4.3835	4.6991
H8	2.1586	1.0939	2.1490	2.7830	2.5045	2.5187	3.0713		1.7534	3.0502	2.4979	3.0957	2.5942
H9	2.1586	1.0939	2.1490	2.7830	2.5045	3.0713	2.5187	1.7534		2.4979	3.0502	2.5942	3.0957
H10	2.7661	2.1529	1.0926	2.0750	3.7689	3.1228	2.5833	3.0502	2.4979		1.7475	2.3944	2.9287
H11	2.7661	2.1529	1.0926	2.0750	3.7689	2.5833	3.1228	2.4979	3.0502	1.7475		2.9287	2.3944
H12	4.1729	2.7663	2.0494	1.0130	4.8851	4.6991	4.3835	3.0957	2.5942	2.3944	2.9287		1.6274
H13	4.1729	2.7663	2.0494	1.0130	4.8851	4.3835	4.6991	2.5942	3.0957	2.9287	2.3944	1.6274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.739	C1	C2	H8	109.822
C1	C2	H9	109.822	C2	C1	H5	111.528
C2	C1	H6	111.022	C2	C1	H7	111.022
C2	C3	N4	116.210	C2	C3	H10	109.242
C2	C3	H11	109.242	C3	C2	H8	108.863
C3	C2	H9	108.863	C3	N4	H12	110.454
C3	N4	H13	110.454	N4	C3	H10	107.739
N4	C3	H11	107.739	H5	C1	H6	107.734
H5	C1	H7	107.734	H6	C1	H7	107.625
H8	C2	H9	106.532	H10	C3	H11	106.206
H12	N4	H13	106.882

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

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

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