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	hartrees
Energy at 0K	-247.756414
Energy at 298.15K	-247.764650
HF Energy	-247.009066
Nuclear repulsion energy	178.624336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3537	40.85
2	A	3620	3410	44.91
3	A	3228	3041	14.57
4	A	3213	3027	17.79
5	A	3145	2963	10.83
6	A	3125	2944	17.51
7	A	3096	2917	16.08
8	A	1821	1716	225.96
9	A	1665	1568	106.49
10	A	1564	1474	9.81
11	A	1558	1468	5.96
12	A	1536	1447	5.65
13	A	1476	1391	4.06
14	A	1456	1372	77.45
15	A	1328	1252	7.70
16	A	1324	1247	86.75
17	A	1160	1093	1.56
18	A	1138	1072	0.09
19	A	1099	1035	2.87
20	A	1039	979	3.54
21	A	842	793	9.98
22	A	821	774	4.02
23	A	635	598	19.96
24	A	613	578	11.66
25	A	502	473	21.09
26	A	453	427	4.95
27	A	312	294	267.51
28	A	265	250	9.31
29	A	219	206	0.36
30	A	19	18	1.44

Atom	x (Å)	y (Å)	z (Å)
H1	-2.587	0.016	0.056
H2	-1.806	-1.521	0.135
N3	-1.749	-0.536	-0.079
O4	-0.495	1.361	0.027
C5	-0.555	0.134	0.011
H6	0.642	-1.346	0.975
H7	0.603	-1.483	-0.774
C8	0.673	-0.760	0.047
H9	2.829	-0.629	0.008
H10	2.007	0.602	-0.970
H11	2.028	0.753	0.783
C12	1.964	0.038	-0.038

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7256	1.0116	2.4873	2.0358	3.6228	3.6212	3.3505	5.4544	4.7436	4.7294	4.5519
H2	1.7256		1.0098	3.1678	2.0782	2.5936	2.5750	2.5940	4.7215	4.5018	4.5041	4.0828
N3	1.0116	1.0098		2.2762	1.3722	2.7360	2.6300	2.4356	4.5802	4.0249	4.0829	3.7576
O4	2.4873	3.1678	2.2762		1.2284	3.0857	3.1523	2.4212	3.8742	2.7982	2.7030	2.7933
C5	2.0358	2.0782	1.3722	1.2284		2.1340	2.1385	1.5191	3.4690	2.7831	2.7659	2.5213
H6	3.6228	2.5936	2.7360	3.0857	2.1340		1.7540	1.0976	2.4966	3.0730	2.5230	2.1651
H7	3.6212	2.5750	2.6300	3.1523	2.1385	1.7540		1.0963	2.5088	2.5215	3.0746	2.1693
C8	3.3505	2.5940	2.4356	2.4212	1.5191	1.0976	1.0963		2.1608	2.1614	2.1604	1.5202
H9	5.4544	4.7215	4.5802	3.8742	3.4690	2.4966	2.5088	2.1608		1.7742	1.7757	1.0929
H10	4.7436	4.5018	4.0249	2.7982	2.7831	3.0730	2.5215	2.1614	1.7742		1.7599	1.0912
H11	4.7294	4.5041	4.0829	2.7030	2.7659	2.5230	3.0746	2.1604	1.7757	1.7599		1.0907
C12	4.5519	4.0828	3.7576	2.7933	2.5213	2.1651	2.1693	1.5202	1.0929	1.0912	1.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	117.217	H1	N3	C5	116.489
H2	N3	C5	120.730	N3	C5	O4	122.053
N3	C5	C8	114.690	O4	C5	C8	123.235
C5	C8	H6	108.198	C5	C8	H7	108.625
C5	C8	C12	112.112	H6	C8	H7	106.157
H6	C8	C12	110.557	H7	C8	C12	110.970
C8	C12	H9	110.503	C8	C12	H10	110.652
C8	C12	H11	110.599	H9	C12	H10	108.652
H9	C12	H11	108.819	H10	C12	H11	107.533

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)