%chk=000193301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193301

0 1
O 0.813531 -3.277812 -0.458986
O 3.347337 -2.836531 -1.093236
O 4.824777 -1.234612 0.927553
O 4.581114 1.060088 -0.747861
O -5.188938 0.436200 -0.553550
O -3.528859 -3.807994 -0.249624
N -0.506340 -0.330730 0.506844
N -2.569802 1.514618 -0.178876
N -1.997728 -2.110569 0.113771
N -4.346589 -1.671444 -0.388197
C 1.272102 -1.941303 -0.235529
C 0.525911 -1.306259 0.956161
C 2.775056 -2.190592 0.051348
C 3.608630 -0.909778 0.251392
C -0.206535 1.046707 0.379297
C -1.786908 -0.801189 0.165966
C -1.264617 1.944147 0.041161
C 1.097119 1.556557 0.556757
C -2.813827 0.230957 -0.122823
C 3.939706 -0.181773 -1.063512
C 1.364667 2.911233 0.387005
C -0.984241 3.334862 -0.084471
C 0.297765 3.820941 0.083451
C -4.218714 -0.257010 -0.373219
C 2.768523 3.383738 0.522039
C 0.564096 5.283509 -0.055127
C -3.286055 -2.629433 -0.174339
H 1.130572 -1.363350 -1.177402
H 0.025867 -2.124791 1.545179
H 1.216566 -0.808969 1.673298
H 2.892580 -2.874369 0.927974
H 3.114457 -0.204400 0.972163
H 1.923553 0.884530 0.814882
H 4.592745 -0.789177 -1.717728
H 3.038845 0.120370 -1.627110
H -1.820423 4.001101 -0.325374
H -0.183432 -3.321791 -0.488385
H 2.787586 -3.622165 -1.341118
H 5.307589 -1.946867 0.440396
H 3.016587 3.613444 1.569001
H 3.498376 2.620251 0.175926
H 2.982432 4.286048 -0.067397
H -0.354678 5.869980 -0.198437
H 1.062940 5.690080 0.837227
H 1.211282 5.492979 -0.920703
H -5.288866 -2.051608 -0.570678
H 5.395041 0.880777 -0.216806


%chk=000193301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193301

0 1
O 0.615707 -3.150094 -0.610486
O 3.257818 -3.273101 -0.913380
O 5.105962 -1.879073 0.565093
O 4.902514 0.749857 -0.553672
O -5.198194 0.320351 -0.497679
O -3.227791 -3.901715 -0.399667
N -0.444646 -0.219154 0.431791
N -2.611358 1.529552 -0.130974
N -1.797014 -2.083755 -0.032530
N -4.162132 -1.768322 -0.408988
C 1.319409 -1.916731 -0.277743
C 0.612591 -1.165289 0.882903
C 2.738652 -2.376475 0.125156
C 3.791743 -1.266541 0.284044
C -0.203071 1.165558 0.341488
C -1.689496 -0.750646 0.082545
C -1.328538 2.024616 0.060573
C 1.079954 1.746062 0.492605
C -2.778137 0.206147 -0.124305
C 3.959139 -0.315347 -0.917699
C 1.273257 3.137568 0.373992
C -1.121844 3.431000 -0.026527
C 0.146919 4.005678 0.123807
C -4.150579 -0.359108 -0.357941
C 2.673288 3.701099 0.498321
C 0.337835 5.504135 0.006836
C -3.056091 -2.661806 -0.284072
H 1.373006 -1.256474 -1.170076
H 0.126340 -1.917725 1.528756
H 1.326049 -0.595507 1.496180
H 2.661454 -2.931295 1.086667
H 3.578837 -0.661616 1.185547
H 1.961908 1.128237 0.673495
H 4.305539 -0.888183 -1.800876
H 3.024513 0.207553 -1.180393
H -2.005195 4.044032 -0.229874
H -0.382916 -2.988617 -0.439062
H 2.506544 -3.883586 -1.149530
H 5.170689 -2.677169 -0.027532
H 2.788831 4.270307 1.441879
H 3.439060 2.907479 0.475296
H 2.894923 4.407277 -0.322536
H -0.629423 6.022902 -0.091865
H 0.859276 5.917342 0.890029
H 0.952485 5.764882 -0.876130
H -5.072537 -2.212171 -0.573468
H 5.705523 0.296465 -0.181691


