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	hartrees
Energy at 0K	-173.912661
Energy at 298.15K	-173.923184
HF Energy	-173.298694
Nuclear repulsion energy	130.681228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3494	3328	1.02
2	A'	3179	3028	26.16
3	A'	3079	2932	31.78
4	A'	3073	2927	51.09
5	A'	3063	2918	14.74
6	A'	1658	1580	16.91
7	A'	1506	1434	4.36
8	A'	1493	1422	0.86
9	A'	1481	1410	0.07
10	A'	1412	1345	0.30
11	A'	1403	1336	8.25
12	A'	1321	1258	12.28
13	A'	1166	1111	6.12
14	A'	1127	1073	15.51
15	A'	1073	1022	0.47
16	A'	958	913	131.56
17	A'	880	838	34.55
18	A'	453	431	2.63
19	A'	265	252	3.52
20	A"	3588	3417	0.01
21	A"	3173	3022	40.42
22	A"	3135	2986	44.66
23	A"	3110	2962	1.38
24	A"	1498	1427	6.90
25	A"	1400	1334	0.76
26	A"	1325	1262	0.78
27	A"	1247	1188	0.01
28	A"	1041	992	0.14
29	A"	865	824	1.57
30	A"	753	717	1.89
31	A"	323	308	42.44
32	A"	242	230	3.95
33	A"	140	134	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.431	1.290	0.000
C2	0.000	0.747	0.000
C3	-0.054	-0.785	0.000
N4	-1.394	-1.382	0.000
H5	1.448	2.392	0.000
H6	1.983	0.943	0.891
H7	1.983	0.943	-0.891
H8	-0.546	1.124	0.886
H9	-0.546	1.124	-0.886
H10	0.490	-1.168	-0.884
H11	0.490	-1.168	0.884
H12	-1.904	-1.012	-0.808
H13	-1.904	-1.012	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5302	2.5515	3.8876	1.1022	1.1038	1.1038	2.1725	2.1725	2.7756	2.7756	4.1312	4.1312
C2	1.5302		1.5334	2.5445	2.1912	2.1827	2.1827	1.1071	1.1071	2.1649	2.1649	2.7146	2.7146
C3	2.5515	1.5334		1.4663	3.5143	2.8164	2.8164	2.1617	2.1617	1.1060	1.1060	2.0309	2.0309
N4	3.8876	2.5445	1.4663		4.7238	4.1954	4.1954	2.7899	2.7899	2.0916	2.0916	1.0246	1.0246
H5	1.1022	2.1912	3.5143	4.7238		1.7825	1.7825	2.5235	2.5235	3.7904	3.7904	4.8444	4.8444
H6	1.1038	2.1827	2.8164	4.1954	1.7825		1.7815	2.5352	3.0960	3.1359	2.5856	4.6705	4.3515
H7	1.1038	2.1827	2.8164	4.1954	1.7825	1.7815		3.0960	2.5352	2.5856	3.1359	4.3515	4.6705
H8	2.1725	1.1071	2.1617	2.7899	2.5235	2.5352	3.0960		1.7729	3.0753	2.5147	3.0453	2.5319
H9	2.1725	1.1071	2.1617	2.7899	2.5235	3.0960	2.5352	1.7729		2.5147	3.0753	2.5319	3.0453
H10	2.7756	2.1649	1.1060	2.0916	3.7904	3.1359	2.5856	3.0753	2.5147		1.7676	2.4001	2.9352
H11	2.7756	2.1649	1.1060	2.0916	3.7904	2.5856	3.1359	2.5147	3.0753	1.7676		2.9352	2.4001
H12	4.1312	2.7146	2.0309	1.0246	4.8444	4.6705	4.3515	3.0453	2.5319	2.4001	2.9352		1.6152
H13	4.1312	2.7146	2.0309	1.0246	4.8444	4.3515	4.6705	2.5319	3.0453	2.9352	2.4001	1.6152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.791	C1	C2	H8	109.890
C1	C2	H9	109.890	C2	C1	H5	111.663
C2	C1	H6	110.893	C2	C1	H7	110.893
C2	C3	N4	116.030	C2	C3	H10	109.145
C2	C3	H11	109.145	C3	C2	H8	108.833
C3	C2	H9	108.833	C3	N4	H12	107.928
C3	N4	H13	107.928	N4	C3	H10	107.990
N4	C3	H11	107.990	H5	C1	H6	107.808
H5	C1	H7	107.808	H6	C1	H7	107.608
H8	C2	H9	106.393	H10	C3	H11	106.086
H12	N4	H13	104.037

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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