%chk=000194306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194306

0 1
O -2.088328 -0.977458 1.140385
O -4.581285 0.025479 -0.530133
O -4.048930 -2.338222 -1.182750
O 0.160326 -2.334100 0.987743
O -2.391866 2.734399 -0.748571
O 2.071309 3.442426 -0.035821
O 5.050030 -2.837029 -0.373884
O 2.914450 -3.098702 0.223787
N -1.224646 1.084262 0.378512
N -0.148652 3.109735 -0.357794
N 2.890730 -0.186308 0.235178
C -3.180071 -0.060666 -0.788138
C -2.874547 -1.563125 -1.069689
C -2.477259 0.255445 0.564591
C -2.018128 -2.035583 0.135764
C -0.556749 -2.293647 -0.254683
C -0.005748 0.636383 0.900180
C -1.334056 2.356083 -0.275817
C 1.133381 1.374059 0.777658
C 1.142167 2.682741 0.137782
C 2.446742 0.820883 1.253436
C 4.095862 -0.947170 0.648944
C 3.877747 -2.370891 0.174552
H -2.888174 0.611694 -1.618588
H -2.369809 -1.717840 -2.048911
H -3.143487 0.751211 1.311832
H -2.460721 -2.903125 0.676032
H -0.130860 -1.492652 -0.886738
H -0.452412 -3.267321 -0.770614
H -0.018102 -0.368269 1.400472
H -4.969519 0.794141 -1.009344
H -4.768662 -1.984308 -0.589577
H -0.211486 4.033477 -0.811914
H 2.320899 0.312397 2.236949
H 3.182395 1.646153 1.403536
H 1.129545 -2.518660 0.800488
H 3.060507 0.279157 -0.664999
H 4.221615 -0.971290 1.758500
H 5.054703 -0.550078 0.238866
H 4.988987 -3.778880 -0.690324


%chk=000194306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194306

0 1
O -1.976559 -1.121163 1.145689
O -4.186662 0.407653 -1.190008
O -4.436445 -2.092362 -0.342142
O 0.303799 -2.621980 0.556469
O -2.679222 2.676096 -0.379959
O 1.817186 3.834012 0.237163
O 5.229892 -3.004391 0.353209
O 2.991869 -3.001456 -0.226355
N -1.202329 1.053673 0.447724
N -0.425382 3.225492 -0.007134
N 2.845758 -0.211587 0.303793
C -2.915444 -0.232238 -0.911806
C -3.117353 -1.773792 -0.864122
C -2.377981 0.104716 0.517766
C -2.039588 -2.231714 0.139076
C -0.665901 -2.472237 -0.512984
C 0.088902 0.660776 0.778447
C -1.507078 2.348975 -0.000297
C 1.159623 1.529636 0.711842
C 0.940404 2.924090 0.320675
C 2.569835 1.057896 1.018461
C 4.050911 -0.938428 0.685223
C 3.990531 -2.389218 0.221128
H -2.156816 0.037449 -1.673990
H -2.977485 -2.229579 -1.865703
H -3.158465 0.595970 1.126354
H -2.360625 -3.116340 0.709382
H -0.401663 -1.625279 -1.189244
H -0.740456 -3.390750 -1.136792
H 0.203124 -0.392933 1.069186
H -4.049220 1.386001 -1.029904
H -5.027433 -1.323800 -0.577473
H -0.618757 4.184521 -0.314158
H 2.684094 0.858746 2.103018
H 3.270438 1.884599 0.766772
H 1.236020 -2.687598 0.197107
H 2.722948 -0.124864 -0.711765
H 4.126589 -0.958025 1.791381
H 5.019149 -0.514523 0.326649
H 5.167690 -3.961244 0.084217


