%chk=000114859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114859

0 1
O -0.050764 -0.097583 -1.705541
O -6.207175 -1.681284 -0.739897
O -4.641072 -2.893899 -1.606284
O 5.960315 2.134762 -0.553242
O 4.408228 2.500856 -2.010274
O -3.320092 2.605855 2.558709
O -5.299599 1.726599 2.438381
O 3.885184 -2.645344 2.709958
O 5.798694 -1.804623 2.138061
N -0.369907 -0.049910 -0.514349
N 0.401893 0.048801 0.504113
N -5.040262 -1.939355 -0.968541
N 4.842066 1.967777 -1.006257
N -4.127447 1.803894 2.129874
N 4.583545 -1.849319 2.108741
C -2.674013 -1.026773 -0.799682
C -1.809940 -0.086417 -0.171263
C 2.556323 1.062549 -0.349828
C 1.832374 0.084713 0.397093
C -4.036160 -0.997876 -0.404028
C -2.269546 0.825407 0.785987
C 3.965867 1.022675 -0.264847
C -3.629402 0.826629 1.127998
C -4.517138 -0.079188 0.541203
C 2.486376 -0.858683 1.199351
C -2.190946 -1.997955 -1.797668
C 3.888494 -0.848678 1.262346
C 4.633542 0.084004 0.539917
C 1.815138 2.060502 -1.149799
H -1.584203 1.539386 1.277240
H -5.589815 -0.070922 0.819766
H 1.915758 -1.600302 1.780190
H -1.166693 -1.821652 -2.173437
H -2.227942 -3.036366 -1.409067
H -2.831688 -2.030739 -2.703668
H 5.737489 0.086875 0.604426
H 1.010142 2.548106 -0.580235
H 1.343909 1.581437 -2.037802
H 2.437867 2.874341 -1.567044


%chk=000114859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114859

0 1
O 0.032699 -0.062170 -1.640570
O -6.213157 -1.403750 -1.256069
O -4.686261 -3.096604 -1.285308
O 5.899781 2.215562 -0.702788
O 4.143877 2.502389 -2.127963
O -3.337679 2.778346 2.461110
O -5.458519 1.988674 2.146701
O 4.085193 -2.820156 2.594598
O 6.032591 -1.925719 1.805896
N -0.349587 -0.092149 -0.385470
N 0.414094 -0.079432 0.696154
N -5.034844 -1.880234 -1.045614
N 4.693716 1.973759 -1.088433
N -4.189244 1.966620 1.934833
N 4.748522 -1.960130 1.900033
C -2.634067 -1.085520 -0.753203
C -1.802124 -0.121775 -0.109767
C 2.478190 1.053203 -0.253748
C 1.832884 0.016566 0.504579
C -4.024176 -0.950306 -0.455214
C -2.279026 0.855953 0.779124
C 3.901896 0.990554 -0.290859
C -3.662684 0.924926 1.011570
C -4.556549 0.041677 0.389563
C 2.571545 -0.947071 1.228477
C -2.081952 -2.175391 -1.644686
C 3.973256 -0.933171 1.153202
C 4.663233 0.026253 0.396123
C 1.674200 2.176483 -0.861899
H -1.600370 1.549270 1.281701
H -5.633575 0.118568 0.559008
H 2.057109 -1.697930 1.833258
H -1.030980 -1.995252 -1.901444
H -2.186372 -3.154461 -1.146275
H -2.657117 -2.254008 -2.583162
H 5.754998 0.034925 0.353132
H 0.733882 2.324056 -0.303918
H 1.414712 1.940623 -1.909641
H 2.231303 3.125123 -0.872428


