%chk=000291631.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291631

0 1
O 3.304630 -0.480548 1.909117
O 4.559830 0.996075 -2.275743
O -1.188348 0.448206 1.407481
O -0.541385 -1.613301 0.606085
N 4.223380 0.322841 -0.073191
N 0.788762 0.289426 0.353595
C 1.950755 -0.427403 -0.178095
C 2.382548 0.113026 -1.559125
C 3.192251 -0.224466 0.740625
C 3.830371 0.547515 -1.430486
C 5.570435 0.644658 0.438898
C -0.332738 -0.430136 0.775319
C -2.503249 -0.084992 1.784082
C -3.434220 -0.012341 0.609197
C -4.307095 1.075132 0.465021
C -3.431822 -1.039229 -0.347045
C -5.181189 1.127703 -0.624832
C -4.305734 -0.981138 -1.434937
C -5.182625 0.100317 -1.573616
H 1.722849 -1.532192 -0.232968
H 1.751699 0.958797 -1.905107
H 2.272213 -0.652672 -2.353513
H 0.880768 1.277089 0.582780
H 6.309377 0.598590 -0.381934
H 5.860864 -0.073921 1.226530
H 5.591042 1.660587 0.870420
H -2.768658 0.603500 2.609287
H -2.376535 -1.115031 2.170181
H -4.304755 1.881319 1.196913
H -2.735855 -1.877242 -0.241215
H -5.860523 1.971322 -0.734855
H -4.303370 -1.779481 -2.175606
H -5.865073 0.142591 -2.420962


%chk=000291631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291631

0 1
O 3.428165 1.239994 1.878314
O 4.155765 -0.416554 -2.442250
O -1.311013 0.012467 1.740000
O -0.402388 -1.779790 0.489623
N 4.115967 0.494964 -0.260120
N 0.875798 0.076329 1.119239
C 2.123907 -0.475534 0.601690
C 2.184690 -0.738356 -0.925555
C 3.270741 0.523961 0.859165
C 3.570748 -0.251270 -1.349568
C 5.388226 1.224062 -0.334901
C -0.285026 -0.662283 1.064160
C -2.669388 -0.632262 1.655352
C -3.439074 -0.152995 0.444191
C -4.290373 0.977426 0.535725
C -3.319263 -0.830407 -0.797439
C -5.008207 1.429162 -0.593971
C -4.036412 -0.379427 -1.927562
C -4.882357 0.750437 -1.828685
H 2.372517 -1.417816 1.133748
H 1.417201 -0.145588 -1.454979
H 2.030585 -1.792484 -1.197409
H 0.913859 0.914800 1.705070
H 5.810650 1.057205 -1.338293
H 6.087877 0.854521 0.433186
H 5.220094 2.301220 -0.168655
H -3.145082 -0.318310 2.597476
H -2.521386 -1.725680 1.640408
H -4.388294 1.504344 1.492994
H -2.654988 -1.699100 -0.868901
H -5.664718 2.302624 -0.512494
H -3.939268 -0.908776 -2.882003
H -5.440953 1.097716 -2.705257


