%chk=000182288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182288

0 1
O -0.099390 3.108567 0.164846
O 0.606541 -1.818433 -1.641020
N -3.598826 -0.998763 0.368913
C 0.662945 -0.136953 0.060342
C -0.029834 0.930592 -0.863907
C -1.528395 0.948136 -0.468865
C 1.686248 0.660041 0.915593
C -1.553965 0.347162 0.961969
C -0.460948 -0.742545 0.930350
C 0.728351 2.261101 -0.656427
C 2.037494 1.904402 0.073769
C -2.337745 0.089578 -1.454128
C 1.286851 -1.221003 -0.829239
C -2.931035 -0.160179 1.416265
C 2.913619 -0.141716 1.363232
C -3.736253 -0.230617 -0.912216
C 3.494959 -1.003570 0.280785
C 2.729987 -1.498430 -0.704402
C -4.941482 -1.444567 0.851673
C 4.954580 -1.297661 0.388885
H 0.073142 0.640263 -1.934675
H -1.922605 1.988311 -0.454778
H -1.241650 1.151713 1.674299
H 1.159008 1.018239 1.837400
H -0.116197 -1.027642 1.932274
H -0.872899 -1.662217 0.460941
H 0.904028 2.800033 -1.609367
H 2.401715 2.730992 0.701046
H 2.838551 1.679673 -0.652036
H -1.795596 -0.867294 -1.642267
H -2.420721 0.596839 -2.430836
H -2.805879 -0.796292 2.320067
H -3.550794 0.712089 1.721195
H 2.628350 -0.801328 2.213811
H 3.674938 0.550497 1.775939
H -4.330363 0.700942 -0.799457
H -4.275123 -0.874182 -1.641062
H 3.125583 -2.153907 -1.481226
H 0.373279 3.927978 0.394761
H -5.386901 -2.110132 0.094725
H -5.654232 -0.634965 1.064171
H -4.812812 -2.044129 1.766610
H 5.286620 -2.064569 -0.326015
H 5.226464 -1.657314 1.391249
H 5.555293 -0.397541 0.191610


%chk=000182288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182288

0 1
O -0.045499 3.150390 0.387076
O 0.706233 -1.618972 -1.919408
N -3.576738 -1.010648 0.404140
C 0.676444 -0.064979 -0.034155
C -0.074049 1.040346 -0.902122
C -1.572982 0.992349 -0.481810
C 1.706573 0.746179 0.817684
C -1.543689 0.355982 0.939406
C -0.445802 -0.733383 0.827915
C 0.686326 2.372728 -0.644204
C 2.069743 1.932623 -0.108159
C -2.401723 0.125762 -1.465093
C 1.351023 -1.104206 -0.948730
C -2.917267 -0.155434 1.416764
C 2.896391 -0.072676 1.357509
C -3.764013 -0.272592 -0.868528
C 3.490835 -1.047958 0.358516
C 2.743756 -1.515088 -0.690370
C -4.832971 -1.593660 0.908058
C 4.910229 -1.503998 0.604192
H 0.016635 0.793434 -1.975319
H -1.997658 2.011428 -0.428438
H -1.207626 1.137118 1.650003
H 1.160335 1.172937 1.682121
H -0.066801 -1.056600 1.816801
H -0.860345 -1.618895 0.314315
H 0.764957 2.984523 -1.566113
H 2.603806 2.749145 0.414786
H 2.706296 1.591594 -0.949099
H -1.841054 -0.792293 -1.721361
H -2.558476 0.685193 -2.408920
H -2.797338 -0.745095 2.347259
H -3.560591 0.731083 1.670759
H 2.572414 -0.658298 2.245496
H 3.688749 0.607794 1.731002
H -4.396154 0.644267 -0.711309
H -4.307141 -0.928507 -1.575141
H 3.155111 -2.246773 -1.397479
H 0.445564 3.996413 0.541374
H -5.265067 -2.266308 0.145147
H -5.606878 -0.825040 1.168468
H -4.630070 -2.190951 1.815816
H 5.226101 -2.285015 -0.107305
H 5.023610 -1.901271 1.632316
H 5.613703 -0.651451 0.520937


