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	hartrees
Energy at 0K	-174.039999
Energy at 298.15K	-174.050345
HF Energy	-173.309375
Nuclear repulsion energy	130.108464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3447	3344
2	A'	3100	3007
3	A'	3018	2927
4	A'	3014	2924
5	A'	3002	2912
6	A'	1643	1594
7	A'	1489	1444
8	A'	1477	1432
9	A'	1466	1422
10	A'	1393	1351
11	A'	1384	1343
12	A'	1305	1266
13	A'	1133	1099
14	A'	1095	1062
15	A'	1040	1009
16	A'	916	889
17	A'	843	818
18	A'	442	428
19	A'	262	254
20	A"	3535	3429
21	A"	3090	2998
22	A"	3066	2975
23	A"	3038	2947
24	A"	1482	1438
25	A"	1374	1333
26	A"	1305	1266
27	A"	1227	1190
28	A"	1021	990
29	A"	848	822
30	A"	733	712
31	A"	269	261
32	A"	222	216
33	A"	127	123

Atom	x (Å)	y (Å)	z (Å)
C1	1.446	1.286	0.000
C2	0.000	0.757	0.000
C3	-0.055	-0.782	0.000
N4	-1.405	-1.381	0.000
H5	1.472	2.390	0.000
H6	1.994	0.934	0.893
H7	1.994	0.934	-0.893
H8	-0.541	1.136	0.889
H9	-0.541	1.136	-0.889
H10	0.483	-1.170	-0.887
H11	0.483	-1.170	0.887
H12	-1.926	-1.044	-0.815
H13	-1.926	-1.044	0.815

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5393	2.5553	3.9035	1.1041	1.1058	1.1058	2.1819	2.1819	2.7829	2.7829	4.1787	4.1787
C2	1.5393		1.5404	2.5580	2.1981	2.1917	2.1917	1.1081	1.1081	2.1752	2.1752	2.7600	2.7600
C3	2.5553	1.5404		1.4770	3.5204	2.8175	2.8175	2.1702	2.1702	1.1069	1.1069	2.0577	2.0577
N4	3.9035	2.5580	1.4770		4.7425	4.2077	4.2077	2.8059	2.8059	2.0963	2.0963	1.0239	1.0239
H5	1.1041	2.1981	3.5204	4.7425		1.7865	1.7865	2.5325	2.5325	3.7993	3.7993	4.8990	4.8990
H6	1.1058	2.1917	2.8175	4.2077	1.7865		1.7867	2.5429	3.1056	3.1426	2.5897	4.7109	4.3910
H7	1.1058	2.1917	2.8175	4.2077	1.7865	1.7867		3.1056	2.5429	2.5897	3.1426	4.3910	4.7109
H8	2.1819	1.1081	2.1702	2.8059	2.5325	2.5429	3.1056		1.7789	3.0857	2.5231	3.0948	2.5843
H9	2.1819	1.1081	2.1702	2.8059	2.5325	3.1056	2.5429	1.7789		2.5231	3.0857	2.5843	3.0948
H10	2.7829	2.1752	1.1069	2.0963	3.7993	3.1426	2.5897	3.0857	2.5231		1.7740	2.4127	2.9517
H11	2.7829	2.1752	1.1069	2.0963	3.7993	2.5897	3.1426	2.5231	3.0857	1.7740		2.9517	2.4127
H12	4.1787	2.7600	2.0577	1.0239	4.8990	4.7109	4.3910	3.0948	2.5843	2.4127	2.9517		1.6298
H13	4.1787	2.7600	2.0577	1.0239	4.8990	4.3910	4.7109	2.5843	3.0948	2.9517	2.4127	1.6298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.136	C1	C2	H8	109.933
C1	C2	H9	109.933	C2	C1	H5	111.452
C2	C1	H6	110.846	C2	C1	H7	110.846
C2	C3	N4	115.925	C2	C3	H10	109.410
C2	C3	H11	109.410	C3	C2	H8	108.957
C3	C2	H9	108.957	C3	N4	H12	109.393
C3	N4	H13	109.393	N4	C3	H10	107.583
N4	C3	H11	107.583	H5	C1	H6	107.882
H5	C1	H7	107.882	H6	C1	H7	107.783
H8	C2	H9	106.770	H10	C3	H11	106.513
H12	N4	H13	105.477

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

using model chemistry: QCISD(T)=FULL/aug-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: QCISD(T)=FULL/aug-cc-pVDZ

States and conformations

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