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	hartrees
Energy at 0K	-174.104780
Energy at 298.15K	-174.115216
HF Energy	-173.351888
Nuclear repulsion energy	131.585747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3518	3340	0.83
2	A'	3164	3004	25.12
3	A'	3073	2918	71.29
4	A'	3070	2915	9.82
5	A'	3060	2906	5.20
6	A'	1659	1575	20.90
7	A'	1522	1446	5.74
8	A'	1509	1433	0.60
9	A'	1494	1419	0.06
10	A'	1414	1343	3.48
11	A'	1400	1329	5.36
12	A'	1326	1259	5.55
13	A'	1155	1097	4.37
14	A'	1117	1061	13.70
15	A'	1060	1006	0.44
16	A'	930	883	100.58
17	A'	858	814	88.86
18	A'	449	426	2.78
19	A'	262	249	3.84
20	A"	3612	3430	1.04
21	A"	3156	2996	42.97
22	A"	3127	2969	30.97
23	A"	3101	2944	0.61
24	A"	1516	1440	7.29
25	A"	1396	1326	0.34
26	A"	1331	1263	0.66
27	A"	1249	1186	0.01
28	A"	1039	986	0.07
29	A"	864	820	1.18
30	A"	751	713	1.78
31	A"	283	269	37.32
32	A"	229	217	7.13
33	A"	135	128	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.273	0.000
C2	0.000	0.750	0.000
C3	-0.055	-0.774	0.000
N4	-1.390	-1.368	0.000
H5	1.462	2.361	0.000
H6	1.971	0.923	0.880
H7	1.971	0.923	-0.880
H8	-0.536	1.124	0.876
H9	-0.536	1.124	-0.876
H10	0.480	-1.152	-0.873
H11	0.480	-1.152	0.873
H12	-1.905	-1.035	-0.807
H13	-1.905	-1.035	0.807

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5229	2.5289	3.8641	1.0883	1.0899	1.0899	2.1574	2.1574	2.7467	2.7467	4.1356	4.1356
C2	1.5229		1.5247	2.5337	2.1751	2.1649	2.1649	1.0925	1.0925	2.1472	2.1472	2.7327	2.7327
C3	2.5289	1.5247		1.4615	3.4822	2.7852	2.7852	2.1443	2.1443	1.0918	1.0918	2.0349	2.0349
N4	3.8641	2.5337	1.4615		4.6946	4.1617	4.1617	2.7762	2.7762	2.0756	2.0756	1.0131	1.0131
H5	1.0883	2.1751	3.4822	4.6946		1.7604	1.7604	2.5074	2.5074	3.7503	3.7503	4.8497	4.8497
H6	1.0899	2.1649	2.7852	4.1617	1.7604		1.7592	2.5141	3.0664	3.0983	2.5549	4.6583	4.3430
H7	1.0899	2.1649	2.7852	4.1617	1.7604	1.7592		3.0664	2.5141	2.5549	3.0983	4.3430	4.6583
H8	2.1574	1.0925	2.1443	2.7762	2.5074	2.5141	3.0664		1.7518	3.0446	2.4921	3.0608	2.5577
H9	2.1574	1.0925	2.1443	2.7762	2.5074	3.0664	2.5141	1.7518		2.4921	3.0446	2.5577	3.0608
H10	2.7467	2.1472	1.0918	2.0756	3.7503	3.0983	2.5549	3.0446	2.4921		1.7460	2.3890	2.9197
H11	2.7467	2.1472	1.0918	2.0756	3.7503	2.5549	3.0983	2.4921	3.0446	1.7460		2.9197	2.3890
H12	4.1356	2.7327	2.0349	1.0131	4.8497	4.6583	4.3430	3.0608	2.5577	2.3890	2.9197		1.6136
H13	4.1356	2.7327	2.0349	1.0131	4.8497	4.3430	4.6583	2.5577	3.0608	2.9197	2.3890	1.6136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.153	C1	C2	H8	110.059
C1	C2	H9	110.059	C2	C1	H5	111.735
C2	C1	H6	110.821	C2	C1	H7	110.821
C2	C3	N4	116.075	C2	C3	H10	109.179
C2	C3	H11	109.179	C3	C2	H8	108.906
C3	C2	H9	108.906	C3	N4	H12	109.294
C3	N4	H13	109.294	N4	C3	H10	107.887
N4	C3	H11	107.887	H5	C1	H6	107.837
H5	C1	H7	107.837	H6	C1	H7	107.625
H8	C2	H9	106.590	H10	C3	H11	106.185
H12	N4	H13	105.562

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

using model chemistry: MP2/cc-pVTZ

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-pVTZ

States and conformations

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