%chk=000191536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191536

0 1
O 0.819744 0.701443 -0.135174
O -0.122328 -2.857214 0.306885
O 2.602317 -2.929112 -0.702659
O 4.130462 -0.656651 0.425307
O 3.095014 2.848451 0.335782
O 2.959244 2.012832 -1.745987
O -2.020863 -1.320726 1.870907
N -1.339328 -0.077123 0.072850
N -3.705677 -0.258962 0.655263
N -5.300006 0.812704 -0.655685
C 0.556529 -1.715529 -0.191136
C 2.062816 -1.890456 0.122477
C 0.058155 -0.390041 0.438791
C 2.884655 -0.645336 -0.280309
C 2.222865 0.665131 0.202844
C 2.779179 1.868302 -0.564881
C -1.640413 0.689773 -1.040595
C -2.417754 -0.613937 0.966439
C -2.948133 0.995540 -1.322817
C -3.977521 0.512504 -0.437093
H 0.380509 -1.752873 -1.294253
H 2.230150 -2.166475 1.188689
H 0.160224 -0.383616 1.556880
H 3.076201 -0.645372 -1.381551
H 2.350763 0.801606 1.306426
H -0.601998 -2.672621 1.163310
H 2.047717 -3.744887 -0.610395
H 4.663706 -1.439360 0.139435
H -0.805887 1.043488 -1.668320
H -3.201670 1.593212 -2.191757
H 3.485892 3.660347 -0.094538
H -5.592745 1.359708 -1.444483
H -6.013919 0.461947 -0.030454


%chk=000191536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191536

0 1
O 0.792483 0.744321 -0.141055
O -0.016223 -2.906586 0.469904
O 2.689915 -3.000476 -0.338897
O 4.257521 -0.610583 0.021129
O 3.502168 2.722858 0.429198
O 2.758431 2.195301 -1.711947
O -2.072571 -1.676339 1.593518
N -1.381946 -0.108099 0.002406
N -3.726673 -0.410408 0.511715
N -5.344794 0.772020 -0.653723
C 0.586608 -1.724533 -0.128653
C 2.088974 -1.787149 0.209956
C 0.023822 -0.378941 0.408878
C 2.855026 -0.602080 -0.381710
C 2.234839 0.697248 0.179018
C 2.836670 1.926325 -0.497099
C -1.686380 0.761586 -1.025007
C -2.430161 -0.777727 0.754144
C -3.003120 1.062870 -1.319755
C -4.017874 0.468221 -0.480751
H 0.448516 -1.748423 -1.229850
H 2.195270 -1.780694 1.318250
H 0.050064 -0.383641 1.520183
H 2.755886 -0.612234 -1.487191
H 2.398382 0.752279 1.271999
H -0.816763 -2.628279 1.033552
H 2.110407 -3.759023 -0.063247
H 4.611836 -1.516696 -0.174383
H -0.836819 1.198550 -1.552317
H -3.244623 1.748294 -2.133893
H 3.939881 3.487206 -0.036240
H -5.660475 1.419272 -1.370890
H -6.020378 0.322259 -0.037044


