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	hartrees
Energy at 0K	-248.065482
Energy at 298.15K	-248.073598
HF Energy	-247.117498
Nuclear repulsion energy	179.290645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3595	48.77
2	A	3630	3454	48.82
3	A	3194	3040	10.24
4	A	3179	3025	18.58
5	A	3130	2978	9.61
6	A	3094	2944	19.98
7	A	3079	2930	15.92
8	A	1779	1692	274.61
9	A	1621	1542	104.74
10	A	1519	1445	9.27
11	A	1509	1436	7.48
12	A	1475	1404	7.65
13	A	1423	1354	15.82
14	A	1416	1347	68.10
15	A	1298	1235	7.12
16	A	1291	1228	85.12
17	A	1131	1076	1.26
18	A	1106	1053	0.38
19	A	1071	1019	4.64
20	A	1017	968	3.60
21	A	822	782	5.47
22	A	804	765	2.94
23	A	652	620	2.49
24	A	603	573	13.19
25	A	510	486	5.05
26	A	440	419	2.44
27	A	260	248	9.31
28	A	218	207	6.14
29	A	203	193	194.69
30	A	39	37	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.957	0.030	-0.006
C2	-0.662	-0.761	0.010
C3	0.555	0.147	-0.002
O4	0.483	1.361	0.007
N5	1.741	-0.529	-0.023
H6	-2.811	-0.644	0.003
H7	-2.018	0.685	0.859
H8	-2.015	0.653	-0.895
H9	-0.603	-1.427	-0.853
H10	-0.607	-1.395	0.896
H11	1.787	-1.529	0.052
H12	2.604	-0.021	0.040

	C1	C2	C3	O4	N5	H6	H7	H8	H9	H10	H11	H12
C1		1.5171	2.5150	2.7793	3.7399	1.0880	1.0867	1.0868	2.1617	2.1607	4.0556	4.5620
C2	1.5171		1.5184	2.4108	2.4144	2.1516	2.1562	2.1554	1.0914	1.0918	2.5669	3.3495
C3	2.5150	1.5184		1.2163	1.3648	3.4577	2.7667	2.7671	2.1307	2.1297	2.0798	2.0565
O4	2.7793	2.4108	1.2163		2.2705	3.8561	2.7274	2.7479	3.1127	3.0942	3.1701	2.5320
N5	3.7399	2.4144	1.3648	2.2705		4.5531	4.0476	4.0325	2.6431	2.6659	1.0032	1.0040
H6	1.0880	2.1516	3.4577	3.8561	4.5531		1.7682	1.7676	2.4941	2.4936	4.6819	5.4511
H7	1.0867	2.1562	2.7667	2.7274	4.0476	1.7682		1.7536	3.0647	2.5140	4.4753	4.7474
H8	1.0868	2.1554	2.7671	2.7479	4.0325	1.7676	1.7536		2.5146	3.0636	4.4840	4.7607
H9	2.1617	1.0914	2.1307	3.1127	2.6431	2.4941	3.0647	2.5146		1.7493	2.5569	3.6138
H10	2.1607	1.0918	2.1297	3.0942	2.6659	2.4936	2.5140	3.0636	1.7493		2.5416	3.5963
H11	4.0556	2.5669	2.0798	3.1701	1.0032	4.6819	4.4753	4.4840	2.5569	2.5416		1.7150
H12	4.5620	3.3495	2.0565	2.5320	1.0040	5.4511	4.7474	4.7607	3.6138	3.5963	1.7150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	34.036	H1	N3	C5	147.640
H2	N3	C5	113.624	N3	C5	O4	26.665
N3	C5	C8	18.032	O4	C5	C8	40.784
C5	C8	H6	95.414	C5	C8	H7	77.948
C5	C8	C12	9.048	H6	C8	H7	60.285
H6	C8	C12	103.486	H7	C8	C12	78.945
C8	C12	H9	31.299	C8	C12	H10	40.049
C8	C12	H11	70.320	H9	C12	H10	28.081
H9	C12	H11	40.233	H10	C12	H11	40.251

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)