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	hartrees
Energy at 0K	-173.985967
Energy at 298.15K	-173.996443
HF Energy	-173.297878
Nuclear repulsion energy	130.257052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3453	3338
2	A'	3136	3032
3	A'	3044	2944
4	A'	3037	2936
5	A'	3025	2925
6	A'	1658	1603
7	A'	1499	1449
8	A'	1486	1437
9	A'	1475	1426
10	A'	1410	1363
11	A'	1400	1353
12	A'	1317	1273
13	A'	1160	1122
14	A'	1111	1074
15	A'	1059	1024
16	A'	964	932
17	A'	873	844
18	A'	448	433
19	A'	263	254
20	A"	3537	3420
21	A"	3128	3025
22	A"	3092	2990
23	A"	3065	2964
24	A"	1490	1441
25	A"	1395	1349
26	A"	1317	1273
27	A"	1241	1200
28	A"	1035	1001
29	A"	858	829
30	A"	744	720
31	A"	318	307
32	A"	235	227
33	A"	134	130

Atom	x (Å)	y (Å)	z (Å)
C1	1.434	1.296	0.000
C2	0.000	0.747	0.000
C3	-0.053	-0.790	0.000
N4	-1.398	-1.387	0.000
H5	1.446	2.402	0.000
H6	1.989	0.951	0.894
H7	1.989	0.951	-0.894
H8	-0.548	1.125	0.889
H9	-0.548	1.125	-0.889
H10	0.491	-1.174	-0.887
H11	0.491	-1.174	0.887
H12	-1.906	-1.007	-0.808
H13	-1.906	-1.007	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5357	2.5618	3.9021	1.1055	1.1072	1.1072	2.1791	2.1791	2.7891	2.7891	4.1370	4.1370
C2	1.5357		1.5382	2.5522	2.1972	2.1902	2.1902	1.1105	1.1105	2.1728	2.1728	2.7136	2.7136
C3	2.5618	1.5382		1.4725	3.5259	2.8280	2.8280	2.1686	2.1686	1.1092	1.1092	2.0335	2.0335
N4	3.9021	2.5522	1.4725		4.7381	4.2122	4.2122	2.7977	2.7977	2.0984	2.0984	1.0275	1.0275
H5	1.1055	2.1972	3.5259	4.7381		1.7884	1.7884	2.5290	2.5290	3.8060	3.8060	4.8486	4.8486
H6	1.1072	2.1902	2.8280	4.2122	1.7884		1.7873	2.5430	3.1056	3.1512	2.5999	4.6799	4.3603
H7	1.1072	2.1902	2.8280	4.2122	1.7884	1.7873		3.1056	2.5430	2.5999	3.1512	4.3603	4.6799
H8	2.1791	1.1105	2.1686	2.7977	2.5290	2.5430	3.1056		1.7781	3.0856	2.5233	3.0449	2.5292
H9	2.1791	1.1105	2.1686	2.7977	2.5290	3.1056	2.5430	1.7781		2.5233	3.0856	2.5292	3.0449
H10	2.7891	2.1728	1.1092	2.0984	3.8060	3.1512	2.5999	3.0856	2.5233		1.7739	2.4043	2.9408
H11	2.7891	2.1728	1.1092	2.0984	3.8060	2.5999	3.1512	2.5233	3.0856	1.7739		2.9408	2.4043
H12	4.1370	2.7136	2.0335	1.0275	4.8486	4.6799	4.3603	3.0449	2.5292	2.4043	2.9408		1.6166
H13	4.1370	2.7136	2.0335	1.0275	4.8486	4.3603	4.6799	2.5292	3.0449	2.9408	2.4043	1.6166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.896	C1	C2	H8	109.828
C1	C2	H9	109.828	C2	C1	H5	111.554
C2	C1	H6	110.894	C2	C1	H7	110.894
C2	C3	N4	115.905	C2	C3	H10	109.243
C2	C3	H11	109.243	C3	C2	H8	108.847
C3	C2	H9	108.847	C3	N4	H12	107.525
C3	N4	H13	107.525	N4	C3	H10	107.910
N4	C3	H11	107.910	H5	C1	H6	107.851
H5	C1	H7	107.851	H6	C1	H7	107.634
H8	C2	H9	106.378	H10	C3	H11	106.194
H12	N4	H13	103.751

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

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

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