%chk=000253607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253607

0 1
O 1.730294 -0.084334 -0.779115
O 0.564941 -2.023324 -0.905194
O -5.158748 -0.199621 1.350189
O -2.854717 1.670517 -1.330279
O -3.915649 -1.961570 1.105289
O -4.273459 0.046044 -1.559021
O 3.696280 -1.346903 1.479622
O 4.072581 0.754083 1.817559
N -4.150529 -0.778926 1.014484
N -3.434498 0.672542 -0.954143
N 3.934549 -0.214541 1.096769
C -2.997071 0.121741 0.439888
C 4.099669 -0.017209 -0.442516
C -1.747112 -0.744102 0.225207
C -0.519774 0.065757 -0.187756
C 2.957903 -0.781746 -1.144731
C -2.810662 1.280743 1.400118
C 4.050294 1.471249 -0.758674
C 5.442891 -0.646908 -0.807429
C 0.581542 -0.847117 -0.650869
H -1.953460 -1.550390 -0.522548
H -1.527519 -1.313899 1.160294
H -0.753891 0.795235 -1.002546
H -0.151982 0.699217 0.652045
H 3.037677 -0.715729 -2.243662
H 2.893143 -1.845088 -0.829320
H -2.196660 2.084010 0.956043
H -3.770420 1.747872 1.686799
H -2.312550 0.969420 2.330025
H 3.041727 1.883894 -0.594670
H 4.316386 1.668050 -1.804009
H 4.736699 2.052818 -0.124404
H 5.623861 -0.604213 -1.889890
H 6.284310 -0.123673 -0.329975
H 5.505753 -1.704295 -0.507678


%chk=000253607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253607

0 1
O 1.808767 -0.143373 -0.297001
O 0.597501 -2.130009 -0.197893
O -5.503926 0.035608 0.223628
O -2.979351 2.564837 0.206601
O -4.330143 -1.795415 -0.465305
O -3.264209 1.311377 -1.679201
O 4.305619 0.002295 1.845455
O 4.435036 2.041727 0.847276
N -4.419165 -0.614636 0.013719
N -3.129166 1.456102 -0.411633
N 4.317982 0.767411 0.810474
C -3.083194 0.123723 0.433812
C 4.222191 0.054639 -0.595275
C -1.872559 -0.694249 -0.034544
C -0.532954 0.044506 0.168867
C 3.050726 -0.935521 -0.500546
C -3.176365 0.435115 1.924559
C 4.027852 1.114314 -1.687345
C 5.544340 -0.733346 -0.757976
C 0.636625 -0.882669 -0.127747
H -2.004631 -0.950145 -1.099318
H -1.860764 -1.648170 0.519616
H -0.445194 0.939791 -0.472042
H -0.411332 0.395191 1.212062
H 2.964298 -1.511960 -1.438757
H 3.177388 -1.630304 0.346197
H -2.331640 1.066326 2.240050
H -4.110317 0.972142 2.150977
H -3.151285 -0.509355 2.494848
H 3.099150 1.684080 -1.530981
H 3.971456 0.607055 -2.667206
H 4.871659 1.821698 -1.705295
H 5.526090 -1.289020 -1.711812
H 6.403784 -0.042079 -0.782163
H 5.687531 -1.448079 0.069802


