%chk=000231987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231987

0 1
O 1.146845 1.921049 0.448213
O 2.886904 -0.247560 -0.062747
O -1.793195 2.635966 0.634624
O -3.576575 -1.507780 -0.299092
N -2.976618 0.688339 0.198583
C -0.658469 0.492510 0.135145
C -1.221251 -0.794534 -0.154998
C 0.713566 0.666269 0.164090
C -1.768581 1.465683 0.366769
C 1.534216 -0.504164 -0.110597
C -0.444542 -1.891122 -0.412432
C -2.717743 -0.683727 -0.117652
C 0.968262 -1.733716 -0.387837
C 2.575428 2.185279 0.496578
C 3.792927 -1.351214 -0.322275
H -0.882324 -2.865686 -0.632097
H 1.585752 -2.606233 -0.593007
H -3.908383 1.078304 0.295361
H 3.028140 1.989978 -0.480940
H 3.042859 1.586316 1.284780
H 2.583400 3.256052 0.741201
H 3.650540 -1.729451 -1.338892
H 3.664664 -2.134054 0.431043
H 4.769978 -0.860604 -0.217823


%chk=000231987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231987

0 1
O 1.152496 1.941815 0.455277
O 2.932362 -0.302369 -0.074029
O -1.772106 2.666989 0.641347
O -3.607603 -1.568043 -0.313867
N -2.979584 0.673966 0.194207
C -0.672408 0.467418 0.129704
C -1.243380 -0.802256 -0.156964
C 0.726109 0.662192 0.164271
C -1.786197 1.445399 0.361566
C 1.543771 -0.501091 -0.108438
C -0.453661 -1.923690 -0.419724
C -2.733163 -0.685756 -0.118728
C 0.951412 -1.755717 -0.391632
C 2.568950 2.353857 0.534782
C 3.802077 -1.451814 -0.345144
H -0.909897 -2.893065 -0.638344
H 1.593553 -2.617473 -0.593696
H -3.913504 1.073829 0.293134
H 3.079310 2.209531 -0.430838
H 3.101008 1.798472 1.323378
H 2.507977 3.423269 0.785736
H 3.632030 -1.850677 -1.363283
H 3.651269 -2.252531 0.403636
H 4.824979 -1.056353 -0.266354


