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	hartrees
Energy at 0K	-248.557755
Energy at 298.15K	-248.565784
HF Energy	-248.557755
Nuclear repulsion energy	178.481922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3715	3585	26.00
2	A	3578	3453	22.77
3	A	3140	3030	18.54
4	A	3119	3010	30.34
5	A	3058	2951	19.84
6	A	3049	2942	25.98
7	A	3019	2913	22.18
8	A	1786	1724	248.04
9	A	1619	1562	87.64
10	A	1515	1462	6.18
11	A	1504	1451	5.72
12	A	1476	1424	4.19
13	A	1415	1366	4.56
14	A	1394	1346	60.80
15	A	1287	1242	20.20
16	A	1279	1234	86.38
17	A	1120	1081	2.08
18	A	1095	1057	0.33
19	A	1055	1018	2.60
20	A	999	964	2.50
21	A	809	781	7.21
22	A	783	756	3.61
23	A	644	621	4.22
24	A	594	573	12.90
25	A	498	480	3.98
26	A	426	411	2.97
27	A	249	241	10.15
28	A	214	207	187.30
29	A	196	190	3.33
30	A	39	38	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.971	0.035	-0.006
C2	-0.670	-0.764	0.009
C3	0.561	0.147	-0.002
O4	0.492	1.362	0.007
N5	1.750	-0.531	-0.023
H6	-2.833	-0.640	0.003
H7	-2.032	0.694	0.863
H8	-2.028	0.663	-0.899
H9	-0.615	-1.438	-0.855
H10	-0.620	-1.407	0.899
H11	1.804	-1.534	0.051
H12	2.618	-0.021	0.039

	C1	C2	C3	O4	N5	H6	H7	H8	H9	H10	H11	H12
C1		1.5271	2.5343	2.7975	3.7641	1.0942	1.0927	1.0929	2.1742	2.1729	4.0885	4.5894
C2	1.5271		1.5309	2.4222	2.4314	2.1666	2.1702	2.1697	1.0977	1.0981	2.5911	3.3703
C3	2.5343	1.5309		1.2168	1.3691	3.4834	2.7872	2.7882	2.1502	2.1490	2.0916	2.0643
O4	2.7975	2.4222	1.2168		2.2729	3.8803	2.7470	2.7673	3.1316	3.1135	3.1797	2.5366
N5	3.7641	2.4314	1.3691	2.2729		4.5843	4.0729	4.0583	2.6670	2.6897	1.0078	1.0077
H6	1.0942	2.1666	3.4834	3.8803	4.5843		1.7775	1.7770	2.5080	2.5071	4.7224	5.4854
H7	1.0927	2.1702	2.7872	2.7470	4.0729	1.7775		1.7618	3.0828	2.5313	4.5098	4.7759
H8	1.0929	2.1697	2.7882	2.7673	4.0583	1.7770	1.7618		2.5323	3.0817	4.5184	4.7889
H9	2.1742	1.0977	2.1502	3.1316	2.6670	2.5080	3.0828	2.5323		1.7540	2.5852	3.6413
H10	2.1729	1.0981	2.1490	3.1135	2.6897	2.5071	2.5313	3.0817	1.7540		2.5712	3.6249
H11	4.0885	2.5911	2.0916	3.1797	1.0078	4.7224	4.5098	4.5184	2.5852	2.5712		1.7178
H12	4.5894	3.3703	2.0643	2.5366	1.0077	5.4854	4.7759	4.7889	3.6413	3.6249	1.7178

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	33.982	H1	N3	C5	147.789
H2	N3	C5	113.827	N3	C5	O4	26.705
N3	C5	C8	17.968	O4	C5	C8	40.739
C5	C8	H6	95.523	C5	C8	H7	77.949
C5	C8	C12	9.030	H6	C8	H7	60.302
H6	C8	C12	103.589	H7	C8	C12	78.970
C8	C12	H9	31.363	C8	C12	H10	40.050
C8	C12	H11	70.588	H9	C12	H10	27.936
H9	C12	H11	40.401	H10	C12	H11	40.428

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)