%chk=000194573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194573

0 1
O -4.987932 -1.797952 2.141635
O -1.807798 2.281887 -0.906644
O -4.648899 -1.536675 -1.986292
O -5.864554 -0.808704 -0.247632
O 1.187485 3.696153 -1.450823
O 0.799763 3.755816 0.758004
O 4.519633 -1.330642 -1.519309
O 6.565145 -1.004766 1.277461
O 5.478593 -2.884640 0.702366
N -2.847400 -0.176649 0.361955
N 1.308816 0.757147 0.257970
C -3.526324 -1.500779 0.087542
C -3.691056 -1.741368 1.636426
C -2.923369 -0.406466 1.855909
C -1.486190 -0.039838 -0.215610
C -1.053088 1.429178 -0.032736
C 0.412111 1.659323 -0.502234
C -4.806744 -1.224807 -0.661766
C 2.659284 0.624493 -0.371489
C 0.775814 3.131092 -0.274787
C 3.504732 -0.334107 0.479689
C 4.786123 -0.713783 -0.270970
C 5.602633 -1.691307 0.587249
H -2.924695 -2.273519 -0.435862
H -3.208939 -2.658648 2.019926
H -1.969826 -0.495395 2.393021
H -3.516481 0.392392 2.335573
H -1.536456 -0.275641 -1.304723
H -0.726247 -0.724927 0.222419
H -1.204762 1.782212 1.013142
H 0.470891 1.437760 -1.606398
H -5.578382 -1.086095 1.756849
H 1.394063 1.078511 1.232724
H 2.532431 0.199505 -1.396989
H 3.182487 1.598332 -0.495223
H -2.772418 2.092664 -0.811087
H 2.910673 -1.242472 0.721119
H 3.760226 0.127057 1.455597
H -5.465704 -1.352614 -2.528823
H 5.401682 0.177059 -0.556471
H 1.398740 4.666460 -1.365227
H 4.016124 -2.174776 -1.401671
H 7.135615 -1.593269 1.845190


%chk=000194573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194573

0 1
O -5.665228 -0.826247 1.760324
O -1.933151 2.063556 -0.375101
O -4.852317 -1.893772 -1.970639
O -5.338982 0.124804 -0.925344
O 0.606824 3.513327 -1.687512
O 1.017561 3.605833 0.597557
O 4.819237 -1.124377 -1.724657
O 6.468161 -0.790574 1.538322
O 6.359695 -2.561057 0.031842
N -2.815667 -0.355174 0.613673
N 1.459838 0.678614 0.294448
C -3.747894 -1.418549 0.125852
C -4.384022 -1.458755 1.597991
C -3.130945 -0.638496 2.058313
C -1.425912 -0.278694 0.123115
C -0.954307 1.187704 0.262331
C 0.410429 1.434358 -0.420632
C -4.701040 -0.955568 -0.953671
C 2.758904 0.581054 -0.413412
C 0.693088 2.948651 -0.418968
C 3.708812 -0.352302 0.359109
C 5.043715 -0.533030 -0.409285
C 6.016342 -1.406176 0.378964
H -3.269316 -2.375295 -0.158190
H -4.492923 -2.466085 2.021118
H -2.363739 -1.265367 2.562716
H -3.345182 0.252056 2.672890
H -1.429021 -0.546131 -0.950808
H -0.731251 -0.963270 0.654491
H -0.858024 1.445456 1.343105
H 0.354719 1.093224 -1.468247
H -5.705213 -0.003044 1.200007
H 1.584532 1.070856 1.241746
H 2.582883 0.160698 -1.419394
H 3.254866 1.573283 -0.551850
H -2.823146 1.653260 -0.167223
H 3.220442 -1.335228 0.495097
H 3.926706 0.066811 1.361155
H -5.535758 -1.578799 -2.623952
H 5.509238 0.458681 -0.567784
H 0.749045 4.497908 -1.626888
H 5.125277 -2.071827 -1.690862
H 7.088523 -1.395116 2.029256


