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	hartrees
Energy at 0K	-174.036429
Energy at 298.15K	-174.046897
HF Energy	-173.346899
Nuclear repulsion energy	131.360786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3328	0.78
2	A'	3166	2961	35.59
3	A'	3091	2891	63.18
4	A'	3083	2884	13.86
5	A'	3075	2876	21.84
6	A'	1682	1573	26.32
7	A'	1538	1438	5.28
8	A'	1522	1424	0.50
9	A'	1515	1417	0.07
10	A'	1451	1357	1.14
11	A'	1449	1355	8.11
12	A'	1363	1274	8.90
13	A'	1173	1097	5.50
14	A'	1127	1054	14.66
15	A'	1062	994	0.60
16	A'	950	889	114.73
17	A'	873	817	71.35
18	A'	454	425	3.23
19	A'	269	251	4.83
20	A"	3642	3406	0.01
21	A"	3158	2954	72.65
22	A"	3138	2934	27.38
23	A"	3108	2907	2.41
24	A"	1528	1429	6.44
25	A"	1420	1328	0.29
26	A"	1348	1261	0.50
27	A"	1273	1190	0.01
28	A"	1057	989	0.24
29	A"	883	826	1.28
30	A"	764	714	0.51
31	A"	286	267	47.48
32	A"	229	215	4.46
33	A"	126	118	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.283	0.000
C2	0.000	0.749	0.000
C3	-0.054	-0.778	0.000
N4	-1.391	-1.371	0.000
H5	1.449	2.373	0.000
H6	1.973	0.938	0.882
H7	1.973	0.938	-0.882
H8	-0.535	1.121	0.878
H9	-0.535	1.121	-0.878
H10	0.480	-1.156	-0.875
H11	0.480	-1.156	0.875
H12	-1.906	-1.052	-0.811
H13	-1.906	-1.052	0.811

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5267	2.5400	3.8730	1.0899	1.0914	1.0914	2.1589	2.1589	2.7601	2.7601	4.1515	4.1515
C2	1.5267		1.5284	2.5352	2.1764	2.1692	2.1692	1.0937	1.0937	2.1509	2.1509	2.7441	2.7441
C3	2.5400	1.5284		1.4624	3.4912	2.7981	2.7981	2.1475	2.1475	1.0924	1.0924	2.0400	2.0400
N4	3.8730	2.5352	1.4624		4.6988	4.1737	4.1737	2.7771	2.7771	2.0764	2.0764	1.0119	1.0119
H5	1.0899	2.1764	3.4912	4.6988		1.7638	1.7638	2.5052	2.5052	3.7627	3.7627	4.8618	4.8618
H6	1.0914	2.1692	2.7981	4.1737	1.7638		1.7635	2.5149	3.0695	3.1144	2.5715	4.6758	4.3595
H7	1.0914	2.1692	2.7981	4.1737	1.7638	1.7635		3.0695	2.5149	2.5715	3.1144	4.3595	4.6758
H8	2.1589	1.0937	2.1475	2.7771	2.5052	2.5149	3.0695		1.7562	3.0481	2.4935	3.0740	2.5696
H9	2.1589	1.0937	2.1475	2.7771	2.5052	3.0695	2.5149	1.7562		2.4935	3.0481	2.5696	3.0740
H10	2.7601	2.1509	1.0924	2.0764	3.7627	3.1144	2.5715	3.0481	2.4935		1.7502	2.3889	2.9230
H11	2.7601	2.1509	1.0924	2.0764	3.7627	2.5715	3.1144	2.4935	3.0481	1.7502		2.9230	2.3889
H12	4.1515	2.7441	2.0400	1.0119	4.8618	4.6758	4.3595	3.0740	2.5696	2.3889	2.9230		1.6210
H13	4.1515	2.7441	2.0400	1.0119	4.8618	4.3595	4.6758	2.5696	3.0740	2.9230	2.3889	1.6210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.480	C1	C2	H8	109.851
C1	C2	H9	109.851	C2	C1	H5	111.470
C2	C1	H6	110.801	C2	C1	H7	110.801
C2	C3	N4	115.900	C2	C3	H10	109.176
C2	C3	H11	109.176	C3	C2	H8	108.837
C3	C2	H9	108.837	C3	N4	H12	109.726
C3	N4	H13	109.726	N4	C3	H10	107.856
N4	C3	H11	107.856	H5	C1	H6	107.919
H5	C1	H7	107.919	H6	C1	H7	107.785
H8	C2	H9	106.814	H10	C3	H11	106.468
H12	N4	H13	106.439

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

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