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	hartrees
Energy at 0K	-247.322362
Energy at 298.15K	-247.330398
Nuclear repulsion energy	180.152578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3639	3603	42.06
2	A	3499	3465	31.90
3	A	3072	3042	5.88
4	A	3061	3031	12.41
5	A	2996	2967	9.13
6	A	2984	2955	19.35
7	A	2957	2928	15.15
8	A	1772	1755	262.00
9	A	1536	1521	159.15
10	A	1429	1415	18.71
11	A	1409	1395	10.48
12	A	1385	1372	8.38
13	A	1374	1361	63.32
14	A	1339	1326	23.29
15	A	1246	1234	26.39
16	A	1224	1212	2.68
17	A	1096	1086	0.96
18	A	1061	1051	0.44
19	A	1044	1034	0.76
20	A	973	963	5.71
21	A	797	789	8.87
22	A	781	773	6.05
23	A	645	639	3.40
24	A	587	582	6.35
25	A	497	492	5.83
26	A	427	423	3.28
27	A	260	258	13.87
28	A	247	244	169.09
29	A	174	172	0.56
30	A	43	43	1.81

Atom	x (Å)	y (Å)	z (Å)
H1	-2.574	-0.001	-0.155
H2	-1.751	-1.551	-0.143
N3	-1.715	-0.539	-0.104
O4	-0.500	1.347	0.066
C5	-0.549	0.131	0.033
H6	0.688	-1.106	1.209
H7	0.572	-1.630	-0.467
C8	0.674	-0.735	0.169
H9	2.829	-0.541	0.126
H10	1.985	0.294	-1.200
H11	1.927	0.976	0.425
C12	1.930	0.031	-0.135

	H1	H2	N3	O4	C5	H6	H7	C8	H9	H10	H11	C12
H1		1.7548	1.0152	2.4832	2.0379	3.7043	3.5562	3.3458	5.4369	4.6863	4.6423	4.5036
H2	1.7548		1.0133	3.1633	2.0752	2.8243	2.3472	2.5779	4.6978	4.2989	4.4989	4.0066
N3	1.0152	1.0133		2.2496	1.3515	2.7960	2.5593	2.4123	4.5492	3.9474	3.9797	3.6887
O4	2.4832	3.1633	2.2496		1.2170	2.9549	3.2084	2.3925	3.8275	2.9814	2.4814	2.7702
C5	2.0379	2.0752	1.3515	1.2170		2.1080	2.1467	1.5052	3.4454	2.8228	2.6455	2.4863
H6	3.7043	2.8243	2.7960	2.9549	2.1080		1.7605	1.1042	2.4650	3.0738	2.5466	2.1546
H7	3.5562	2.3472	2.5593	3.2084	2.1467	1.7605		1.1026	2.5749	2.4968	3.0697	2.1710
C8	3.3458	2.5779	2.4123	2.3925	1.5052	1.1042	1.1026		2.1638	2.1571	2.1364	1.5021
H9	5.4369	4.6978	4.5492	3.8275	3.4454	2.4650	2.5749	2.1638		1.7800	1.7903	1.0976
H10	4.6863	4.2989	3.9474	2.9814	2.8228	3.0738	2.4968	2.1571	1.7800		1.7636	1.0986
H11	4.6423	4.4989	3.9797	2.4814	2.6455	2.5466	3.0697	2.1364	1.7903	1.7636		1.0982
C12	4.5036	4.0066	3.6887	2.7702	2.4863	2.1546	2.1710	1.5021	1.0976	1.0986	1.0982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N3	H2	119.783	H1	N3	C5	118.172
H2	N3	C5	122.039	N3	C5	O4	122.201
N3	C5	C8	115.115	O4	C5	C8	122.672
C5	C8	H6	106.764	C5	C8	H7	109.843
C5	C8	C12	111.530	H6	C8	H7	105.834
H6	C8	C12	110.589	H7	C8	C12	111.998
C8	C12	H9	111.732	C8	C12	H10	111.125
C8	C12	H11	109.511	H9	C12	H10	108.293
H9	C12	H11	109.242	H10	C12	H11	106.797

All results from a given calculation for C₃H₇NO (Propanamide)

using model chemistry: SVWN/cc-pVTZ

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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Number	Element	Mulliken
1	H	0.162
2	H	0.160
3	N	-0.215
4	O	-0.282
5	C	0.182
6	H	0.143
7	H	0.112
8	C	-0.273
9	H	0.111
10	H	0.121
11	H	0.130
12	C	-0.351

	x	y	z	Total
	-1.084	-3.524	-0.105	3.688
CHELPG
AIM
ESP

	x	y	z
x	8.615	0.361	0.140
y	0.361	7.576	-0.003
z	0.140	-0.003	5.513

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H7NO (Propanamide)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₇NO (Propanamide)