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	hartrees
Energy at 0K	-247.427986
Energy at 298.15K	-247.436369
HF Energy	-246.938269
Nuclear repulsion energy	174.741548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3617	34.40
2	A	3598	3465	49.86
3	A	3153	3037	27.04
4	A	3132	3016	45.07
5	A	3097	2983	19.04
6	A	3040	2928	22.77
7	A	3032	2920	39.44
8	A	1698	1635	196.78
9	A	1639	1578	122.20
10	A	1546	1489	11.38
11	A	1536	1479	8.78
12	A	1513	1458	10.18
13	A	1459	1405	13.91
14	A	1418	1366	55.63
15	A	1333	1283	80.79
16	A	1299	1251	69.37
17	A	1154	1112	5.20
18	A	1115	1074	5.26
19	A	1072	1032	14.73
20	A	1019	981	2.04
21	A	827	797	8.37
22	A	794	765	2.29
23	A	682	657	44.68
24	A	604	581	83.15
25	A	517	498	54.60
26	A	463	446	193.65
27	A	425	409	9.71
28	A	255	246	7.88
29	A	214	206	0.77
30	A	37	36	4.48

Atom	x (Å)	y (Å)	z (Å)
H1	-2.574	-0.209	-0.387
H2	-1.633	-1.675	-0.226
N3	-1.683	-0.663	-0.206
O4	-0.642	1.402	0.099
C5	-0.569	0.130	0.083
H6	0.873	-0.634	1.491
H7	0.635	-1.696	0.074
C8	0.734	-0.641	0.393
H9	2.896	-0.503	-0.009
H10	1.868	-0.012	-1.393
H11	2.045	1.080	0.010
C12	1.968	0.024	-0.294

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7501	1.0164	2.5614	2.0872	3.9474	3.5661	3.4257	5.4905	4.5590	4.8114	4.5490
H2	1.7501		1.0138	3.2488	2.1185	3.2106	2.2870	2.6558	4.6826	4.0478	4.6014	3.9823
N3	1.0164	1.0138		2.3321	1.3979	3.0675	2.5523	2.4898	4.5854	3.8002	4.1206	3.7160
O4	2.5614	3.2488	2.3321		1.2735	2.8935	3.3499	2.4802	4.0192	3.2444	2.7071	2.9774
C5	2.0872	2.1185	1.3979	1.2735		2.1544	2.1867	1.5452	3.5230	2.8530	2.7817	2.5671
H6	3.9474	3.2106	3.0675	2.8935	2.1544		1.7867	1.1066	2.5218	3.1137	2.5503	2.1951
H7	3.5661	2.2870	2.5523	3.3499	2.1867	1.7867		1.1061	2.5575	2.5509	3.1142	2.2070
C8	3.4257	2.6558	2.4898	2.4802	1.5452	1.1066	1.1061		2.2032	2.2074	2.1973	1.5614
H9	5.4905	4.6826	4.5854	4.0192	3.5230	2.5218	2.5575	2.2032		1.7925	1.7979	1.1043
H10	4.5590	4.0478	3.8002	3.2444	2.8530	3.1137	2.5509	2.2074	1.7925		1.7874	1.1044
H11	4.8114	4.6014	4.1206	2.7071	2.7817	2.5503	3.1142	2.1973	1.7979	1.7874		1.1019
C12	4.5490	3.9823	3.7160	2.9774	2.5671	2.1951	2.2070	1.5614	1.1043	1.1044	1.1019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	119.092	H1	N3	C5	118.799
H2	N3	C5	122.100	N3	C5	O4	121.551
N3	C5	C8	115.466	O4	C5	C8	122.980
C5	C8	H6	107.518	C5	C8	H7	110.024
C5	C8	C12	111.447	H6	C8	H7	107.697
H6	C8	C12	109.546	H7	C8	C12	110.490
C8	C12	H9	110.303	C8	C12	H10	110.627
C8	C12	H11	109.983	H9	C12	H10	108.499
H9	C12	H11	109.160	H10	C12	H11	108.218

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP2/LANL2DZ

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 C3H7NO (Propanamide)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)