%chk=000262577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262577

0 1
O -4.744635 -1.183778 1.624418
O -4.530323 -0.282353 -0.421654
O 1.217219 -3.460884 -1.303910
O 0.176879 -1.572714 -1.211832
O 2.873265 4.720919 1.608575
O 0.763945 4.327512 1.831297
O -1.317315 -6.874333 3.154189
O 0.233139 -7.078768 1.656047
O 4.119722 3.331976 -4.261058
O 5.185037 4.038130 -2.513498
N -1.668493 -1.142104 0.547000
N -0.691044 3.618309 -0.198068
N 0.383386 -2.724468 -0.816732
N 1.798280 4.375951 1.156913
N -0.640433 -6.452948 2.230751
N 4.175399 3.668912 -3.089578
C -2.255536 1.237843 0.950724
C -2.631347 -0.234799 1.199700
C -2.161021 1.617782 -0.530789
C -1.980055 3.127623 -0.739784
C -1.429995 -2.432358 0.944698
C -4.037516 -0.532441 0.646338
C 0.493028 3.579221 -0.874004
C -0.420475 -3.219915 0.292484
C -2.174257 -3.032928 2.012258
C 1.719588 3.990376 -0.241021
C 0.553909 3.160550 -2.248428
C -0.171294 -4.538583 0.726931
C -1.917093 -4.317434 2.420696
C -0.902513 -5.079784 1.776575
C 2.919266 4.017971 -0.983394
C 1.730863 3.186961 -2.948871
C 2.928661 3.631133 -2.316292
H -3.000453 1.883193 1.464167
H -1.286256 1.446710 1.456676
H -2.645829 -0.419912 2.316708
H -3.083138 1.291652 -1.069693
H -1.327662 1.067708 -1.019197
H -2.063904 3.369437 -1.826831
H -2.797055 3.697353 -0.235874
H -1.148501 -0.748971 -0.272088
H -0.698979 3.901610 0.803277
H -2.975164 -2.464504 2.495508
H -0.358219 2.817435 -2.738244
H 0.611646 -5.138011 0.224367
H -2.483835 -4.781767 3.240639
H 3.853871 4.348322 -0.491973
H 1.780275 2.870198 -4.000534
H -5.674639 -1.424531 1.349215


%chk=000262577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262577

0 1
O -4.939526 -0.250049 1.800771
O -4.254962 -1.188126 -0.218435
O 1.454053 -3.085343 -1.411951
O 0.368602 -1.116833 -1.067491
O 2.724154 5.176160 1.452499
O 0.471252 4.912451 1.631590
O -1.191014 -7.054800 2.656104
O 0.466428 -7.056076 1.081926
O 4.196442 2.361627 -3.948994
O 5.240105 3.472596 -2.245548
N -1.522687 -0.972389 0.723335
N -0.852899 3.668038 -0.246454
N 0.568518 -2.389138 -0.794066
N 1.607633 4.735359 0.990071
N -0.469930 -6.472517 1.752931
N 4.187740 2.986149 -2.816047
C -2.367909 1.330029 1.017132
C -2.580933 -0.179449 1.340246
C -2.402111 1.674853 -0.489902
C -2.146329 3.183047 -0.751163
C -1.279761 -2.298295 0.961107
C -3.977339 -0.620584 0.854169
C 0.361698 3.490083 -0.855298
C -0.247483 -3.022482 0.245114
C -2.025700 -3.038527 1.941416
C 1.590393 4.011326 -0.280855
C 0.486697 2.782560 -2.101798
C 0.013679 -4.384061 0.505023
C -1.765428 -4.381472 2.200614
C -0.740583 -5.049832 1.477538
C 2.835473 3.843449 -0.923808
C 1.715120 2.616572 -2.734377
C 2.889248 3.155112 -2.140037
H -3.149369 1.900226 1.552573
H -1.392743 1.625771 1.447937
H -2.566944 -0.292300 2.440979
H -3.386590 1.416534 -0.924071
H -1.653236 1.081820 -1.047760
H -2.233564 3.391662 -1.834141
H -2.928245 3.780086 -0.247712
H -0.930081 -0.563878 -0.019820
H -0.801054 4.198851 0.640964
H -2.819145 -2.537018 2.501695
H -0.406880 2.360089 -2.566190
H 0.795854 -4.906174 -0.052117
H -2.334114 -4.938787 2.949698
H 3.742864 4.249845 -0.469799
H 1.800839 2.073287 -3.679029
H -5.849834 -0.492953 1.478237


