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	hartrees
Energy at 0K	-247.652491
Energy at 298.15K	-247.660798
HF Energy	-247.011099
Nuclear repulsion energy	179.480219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3859	3573	44.43
2	A	3733	3456	48.39
3	A	3270	3027	20.56
4	A	3253	3012	24.09
5	A	3194	2957	13.70
6	A	3178	2942	20.68
7	A	3153	2919	20.58
8	A	1916	1774	310.06
9	A	1723	1595	127.39
10	A	1595	1477	11.60
11	A	1589	1471	5.32
12	A	1572	1455	4.33
13	A	1525	1412	19.66
14	A	1504	1392	63.82
15	A	1365	1263	86.98
16	A	1363	1262	24.65
17	A	1196	1107	2.01
18	A	1172	1085	0.48
19	A	1132	1048	3.43
20	A	1063	984	3.49
21	A	864	800	12.44
22	A	846	783	2.61
23	A	651	603	20.85
24	A	635	588	14.69
25	A	516	478	13.66
26	A	466	431	4.79
27	A	279	258	285.73
28	A	270	250	9.79
29	A	224	207	0.72
30	A	26	24	1.27

Atom	x (Å)	y (Å)	z (Å)
H1	-2.580	0.011	0.053
H2	-1.800	-1.514	0.118
N3	-1.744	-0.531	-0.067
O4	-0.500	1.347	0.023
C5	-0.557	0.136	0.008
H6	0.635	-1.346	0.957
H7	0.604	-1.465	-0.785
C8	0.671	-0.753	0.040
H9	2.823	-0.630	0.007
H10	2.016	0.614	-0.953
H11	2.034	0.741	0.796
C12	1.966	0.040	-0.031

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7145	1.0035	2.4721	2.0279	3.6046	3.6085	3.3402	5.4413	4.7436	4.7300	4.5466
H2	1.7145		1.0018	3.1435	2.0689	2.5801	2.5684	2.5868	4.7076	4.4983	4.4988	4.0759
N3	1.0035	1.0018		2.2544	1.3644	2.7153	2.6273	2.4283	4.5690	4.0294	4.0789	3.7538
O4	2.4721	3.1435	2.2544		1.2119	3.0679	3.1265	2.4044	3.8667	2.7963	2.7176	2.7912
C5	2.0279	2.0689	1.3644	1.2119		2.1255	2.1304	1.5166	3.4655	2.7874	2.7745	2.5244
H6	3.6046	2.5801	2.7153	3.0679	2.1255		1.7459	1.0926	2.4907	3.0655	2.5180	2.1607
H7	3.6085	2.5684	2.6273	3.1265	2.1304	1.7459		1.0914	2.4992	2.5183	3.0669	2.1642
C8	3.3402	2.5868	2.4283	2.4044	1.5166	1.0926	1.0914		2.1553	2.1592	2.1585	1.5193
H9	5.4413	4.7076	4.5690	3.8667	3.4655	2.4907	2.4992	2.1553		1.7665	1.7677	1.0887
H10	4.7436	4.4983	4.0294	2.7963	2.7874	3.0655	2.5183	2.1592	1.7665		1.7532	1.0870
H11	4.7300	4.4988	4.0789	2.7176	2.7745	2.5180	3.0669	2.1585	1.7677	1.7532		1.0865
C12	4.5466	4.0759	3.7538	2.7912	2.5244	2.1607	2.1642	1.5193	1.0887	1.0870	1.0865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	117.509	H1	N3	C5	117.009
H2	N3	C5	121.182	N3	C5	O4	121.998
N3	C5	C8	114.791	O4	C5	C8	123.200
C5	C8	H6	107.997	C5	C8	H7	108.445
C5	C8	C12	112.513	H6	C8	H7	106.146
H6	C8	C12	110.568	H7	C8	C12	110.919
C8	C12	H9	110.374	C8	C12	H10	110.792
C8	C12	H11	110.766	H9	C12	H10	108.573
H9	C12	H11	108.711	H10	C12	H11	107.538

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)