%chk=000208439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208439

0 1
O 2.739949 -4.223080 -0.204392
O 3.135234 -1.469475 -0.285048
O -8.379883 0.857493 0.955708
O 7.071593 3.641710 -1.668077
N -0.500920 -2.264708 -0.400145
N -3.228386 -1.326581 -0.133567
N 6.003391 3.371314 0.383960
C -1.551375 -3.122067 0.198834
C -1.102031 -1.380639 -1.428732
C -2.658910 -2.270018 0.845815
C -2.189556 -0.499351 -0.793598
C 0.675124 -3.027795 -0.882253
C 1.689823 -3.303580 0.255584
C -4.501639 -0.744667 0.136780
C 2.303073 -2.012496 0.809804
C -5.187117 -0.963014 1.371144
C -5.162779 0.048579 -0.843176
C -6.467447 -0.426552 1.600693
C -6.439201 0.602930 -0.612073
C -7.103339 0.363367 0.615931
C 3.825824 -0.265917 -0.057565
C 4.614249 0.209202 -1.132940
C 3.769317 0.469031 1.151172
C 5.344011 1.405159 -1.018911
C 4.501466 1.668639 1.265996
C 5.291806 2.150029 0.192012
C -9.066525 1.670931 -0.045770
C 6.824491 4.049479 -0.512396
C 7.381570 5.368619 0.020232
H -1.100247 -3.768404 0.973815
H -2.014359 -3.786831 -0.573422
H -1.553707 -1.968800 -2.266461
H -0.310366 -0.732535 -1.847132
H -2.237834 -1.738285 1.733113
H -3.455141 -2.949577 1.197201
H -2.649443 0.125933 -1.574727
H -1.708355 0.180829 -0.052031
H 0.396401 -4.007013 -1.335642
H 1.186632 -2.434584 -1.662826
H 1.191451 -3.837967 1.084278
H 1.498521 -1.299582 1.074282
H 2.944610 -2.229071 1.686196
H -4.718640 -1.541226 2.172702
H -4.693004 0.217821 -1.817620
H 3.372049 -3.688168 -0.753048
H -6.985488 -0.599324 2.549420
H -6.905572 1.201437 -1.400892
H 4.647182 -0.372117 -2.059760
H 3.167354 0.126019 1.996922
H 5.953984 1.774304 -1.845243
H 4.451805 2.233103 2.206377
H -9.255293 1.097468 -0.975286
H -10.025379 1.950381 0.415911
H -8.491424 2.586568 -0.289918
H 5.884773 3.806267 1.301889
H 7.528518 5.368833 1.115383
H 6.695466 6.196351 -0.239110
H 8.346188 5.566430 -0.471495


%chk=000208439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208439

0 1
O 2.743576 -4.225786 -0.212205
O 3.135535 -1.471764 -0.290247
O -8.371114 0.859505 0.971549
O 7.063004 3.659379 -1.683298
N -0.499794 -2.271399 -0.406132
N -3.226067 -1.331719 -0.134286
N 5.972899 3.388751 0.380223
C -1.549940 -3.129264 0.192505
C -1.101561 -1.385704 -1.432819
C -2.655970 -2.277526 0.842483
C -2.187639 -0.504497 -0.795057
C 0.676541 -3.033353 -0.889217
C 1.692006 -3.308278 0.248230
C -4.497750 -0.748181 0.140162
C 2.302624 -2.016376 0.803304
C -5.181089 -0.968406 1.375404
C -5.159440 0.048909 -0.836300
C -6.459864 -0.430019 1.609078
C -6.434291 0.605131 -0.601045
C -7.096292 0.363727 0.627747
C 3.819370 -0.264253 -0.063087
C 4.611009 0.211355 -1.135649
C 3.752497 0.474305 1.142909
C 5.333858 1.411885 -1.021761
C 4.477151 1.678550 1.257758
C 5.270772 2.161026 0.186675
C -9.058287 1.676894 -0.026337
C 6.803854 4.067988 -0.511789
C 7.391918 5.369778 0.031708
H -1.098262 -3.777348 0.965701
H -2.014398 -3.792249 -0.580382
H -1.554697 -1.972460 -2.270746
H -0.310082 -0.737500 -1.851406
H -2.233294 -1.747822 1.730240
H -3.452329 -2.957061 1.193651
H -2.648316 0.121810 -1.574896
H -1.704903 0.174671 -0.053569
H 0.398531 -4.012751 -1.342596
H 1.187041 -2.439505 -1.669968
H 1.194425 -3.843908 1.076611
H 1.496262 -1.305109 1.066669
H 2.943470 -2.231592 1.680527
H -4.712125 -1.549630 2.174487
H -4.691446 0.219925 -1.811281
H 3.374587 -3.689767 -0.761009
H -6.976203 -0.604248 2.558465
H -6.901135 1.206646 -1.387295
H 4.651762 -0.372895 -2.060317
H 3.148146 0.130486 1.986605
H 5.945324 1.782080 -1.846188
H 4.419254 2.245759 2.195939
H -9.250260 1.106173 -0.956883
H -10.015550 1.957124 0.438167
H -8.481848 2.591972 -0.269424
H 5.844031 3.824063 1.295981
H 7.096840 5.600167 1.070527
H 7.077354 6.203581 -0.619566
H 8.492801 5.313533 -0.020651


