%chk=000291485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291485

0 1
O -1.927539 -3.458691 -0.000042
O -3.642641 -2.159844 -0.000281
N 2.188761 -0.471276 -0.000020
N 1.488591 1.734223 -0.000045
N -2.437637 -2.342446 -0.000023
C 0.777232 -0.483777 -0.000012
C 0.380409 0.899944 -0.000031
C -1.014122 1.237435 -0.000030
C -1.973443 0.182352 -0.000015
C 2.583883 0.916034 -0.000041
C -0.163358 -1.525640 -0.000005
C -1.508088 -1.196000 -0.000011
C -1.429928 2.595630 -0.000039
C 3.118027 -1.506936 -0.000008
C -3.346837 0.548386 0.000003
C 3.979117 1.211625 -0.000049
C -2.772022 2.911241 -0.000029
C -3.733951 1.873777 -0.000006
C 4.452268 -1.182341 -0.000017
C 4.882996 0.182735 -0.000038
H 0.162525 -2.573652 0.000001
H -0.662399 3.375089 -0.000052
H 2.741820 -2.533896 0.000007
H -4.117567 -0.232492 0.000026
H 4.273601 2.263911 -0.000065
H -3.100969 3.949348 -0.000034
H -4.794068 2.132421 0.000005
H 5.206062 -1.970858 -0.000008
H 5.956475 0.384894 -0.000042


%chk=000291485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291485

0 1
O -1.861017 -3.572337 0.000846
O -3.689929 -2.230822 -0.000958
N 2.187190 -0.467621 -0.000033
N 1.486117 1.746905 -0.000082
N -2.405274 -2.391679 -0.000114
C 0.779140 -0.480384 -0.000028
C 0.388103 0.895442 -0.000064
C -1.008618 1.238043 -0.000068
C -1.998109 0.170424 -0.000093
C 2.572711 0.921542 -0.000062
C -0.144524 -1.534684 -0.000017
C -1.510951 -1.210190 -0.000051
C -1.408977 2.605217 -0.000026
C 3.113368 -1.496469 -0.000012
C -3.377672 0.562601 -0.000031
C 3.961561 1.225585 -0.000067
C -2.764129 2.947473 0.000023
C -3.744030 1.915874 0.000038
C 4.466321 -1.185608 -0.000018
C 4.894023 0.185336 -0.000045
H 0.134902 -2.591572 0.000038
H -0.623588 3.367215 -0.000016
H 2.727411 -2.518430 0.000012
H -4.146161 -0.208428 -0.000085
H 4.257329 2.276966 -0.000088
H -3.070776 3.998457 0.000057
H -4.807766 2.177709 0.000092
H 5.196353 -1.998246 -0.000001
H 5.964191 0.412879 -0.000049


