%chk=000196698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196698

0 1
O -3.243372 1.383317 -2.284495
O -0.472181 -2.916528 -1.200449
O 0.853654 2.709167 -1.344071
O -1.293194 1.531614 2.482982
O 3.030841 2.576673 -0.648953
O 0.113503 2.946222 1.427642
N 1.550736 0.810306 -0.267701
N -1.695617 -2.375432 0.687406
C 0.363436 -1.190620 0.372911
C 0.164253 0.197929 -0.391573
C -0.126852 0.022281 -1.904704
C -0.011568 -1.162306 1.875695
C 1.836168 -1.455303 0.227831
C -0.602007 -2.248603 -0.197566
C -0.913712 1.061318 0.231054
C -2.657534 0.335869 -1.458877
C -1.557979 -0.358160 -2.273363
C -1.486049 -1.599245 1.946027
C 2.514282 -0.242127 -0.073034
C -2.173763 1.061913 -0.221476
C -3.882919 -0.569410 -1.207977
C -3.070511 -2.602850 0.192266
C -3.928955 -1.325558 0.118570
C 2.555277 -2.624851 0.405458
C 1.930359 2.081959 -0.739362
C -0.582406 1.964020 1.373102
C 3.899766 -0.177039 -0.155774
C 3.958066 -2.574039 0.304156
C 4.614070 -1.370663 0.041125
C 0.960408 4.161017 -1.424173
C -1.149561 2.319359 3.695382
H 0.564393 -0.746325 -2.318963
H 0.133474 0.974139 -2.422561
H 0.159408 -0.181278 2.347088
H 0.632771 -1.868874 2.435357
H -1.722573 -0.133476 -3.351218
H -1.685186 -1.462844 -2.229678
H -1.686764 -2.259127 2.813634
H -2.167041 -0.720579 2.021217
H -2.954697 1.666770 0.254309
H -3.991137 -1.275263 -2.056673
H -4.785159 0.084689 -1.280763
H -3.554910 -3.334669 0.880190
H -3.004687 -3.101500 -0.804028
H -3.669005 -0.644918 0.958121
H -4.985031 -1.615940 0.308194
H 2.048019 -3.566827 0.609955
H 4.411011 0.766063 -0.363317
H -2.555965 1.998648 -2.609949
H 4.533975 -3.488421 0.434248
H 5.702678 -1.348881 -0.020339
H 0.734522 4.563602 -0.428125
H 0.191678 4.416131 -2.158680
H 1.962086 4.455468 -1.756585
H -1.622649 1.687247 4.453345
H -1.677160 3.269115 3.566007
H -0.089089 2.493420 3.909457


%chk=000196698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196698

0 1
O -3.310349 1.410237 -2.114135
O -0.396229 -3.070680 -1.279600
O 0.705612 2.826584 -0.677324
O -1.603844 2.719346 1.827576
O 3.023714 2.561891 -0.466794
O 0.399882 1.658442 2.317326
N 1.559447 0.732769 -0.233455
N -1.662994 -2.358254 0.584510
C 0.446275 -1.341965 0.358475
C 0.171780 0.110155 -0.307896
C -0.166442 0.020300 -1.837681
C 0.102638 -1.445335 1.879720
C 1.919785 -1.542415 0.093214
C -0.534286 -2.380528 -0.228927
C -0.932944 0.918200 0.383831
C -2.719901 0.246342 -1.349951
C -1.605468 -0.416957 -2.194097
C -1.412055 -1.785979 1.925043
C 2.548066 -0.297722 -0.147155
C -2.222380 0.882103 -0.070363
C -3.958177 -0.680116 -1.161899
C -2.988894 -2.811469 0.149376
C -4.022523 -1.651483 0.048378
C 2.674451 -2.724716 0.146582
C 1.869642 2.060738 -0.452985
C -0.615768 1.754983 1.581471
C 3.947046 -0.197111 -0.297235
C 4.078997 -2.648600 -0.023543
C 4.700515 -1.394102 -0.230314
C 0.949855 4.276174 -0.829453
C -1.363337 3.576763 3.011049
H 0.548246 -0.675838 -2.312191
H 0.025710 1.030632 -2.243852
H 0.368655 -0.536714 2.436288
H 0.688635 -2.284395 2.295210
H -1.806532 -0.168741 -3.253454
H -1.688619 -1.509861 -2.132320
H -1.645228 -2.536760 2.705544
H -2.037009 -0.895348 2.110058
H -2.979588 1.460952 0.471314
H -4.093152 -1.247283 -2.103570
H -4.828771 -0.001780 -1.076405
H -3.374505 -3.564852 0.865836
H -2.855474 -3.318429 -0.824094
H -4.000857 -1.069250 0.991060
H -5.024377 -2.124741 0.014366
H 2.180548 -3.690055 0.300627
H 4.421520 0.771960 -0.457274
H -2.568740 2.035096 -2.330083
H 4.684357 -3.560858 0.004493
H 5.788639 -1.341909 -0.349578
H 1.477965 4.672434 0.053988
H -0.052987 4.717453 -0.923916
H 1.557572 4.471117 -1.729020
H -2.221003 4.263609 3.035999
H -0.413809 4.126378 2.896868
H -1.313709 2.966188 3.928662


