%chk=000118917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118917

0 1
O -0.527941 2.368959 -0.055145
O 1.202634 -1.960557 0.061266
O -2.698131 2.972955 0.034235
O -0.045544 -3.825125 0.349911
N -3.491410 -1.310440 0.336379
C -0.875110 -0.242064 -0.270127
C -2.093751 0.623608 0.010819
C -1.131391 -1.686531 0.102480
C -3.331199 0.092526 0.230909
C -0.492961 -0.150258 -1.754424
C -2.378623 -2.165512 0.332854
C -1.880136 2.071968 0.005224
C -4.600336 0.850185 0.411746
C -0.000272 -2.621187 0.179476
C -0.148387 3.774051 0.037701
C 2.421776 -2.767668 0.083505
C 0.203822 4.110237 1.460216
C 2.737035 -3.233670 -1.309858
C 0.012819 5.416029 1.933970
C 0.744643 3.131102 2.305384
C 2.094511 -4.368776 -1.827035
C 3.669825 -2.540963 -2.093867
C 0.369345 5.738540 3.246488
C 1.093755 3.457758 3.618003
C 2.392634 -4.812070 -3.117337
C 3.966261 -2.989914 -3.384478
C 0.909570 4.761833 4.089370
C 3.330329 -4.125152 -3.896362
H -0.014985 0.139326 0.346882
H -0.259318 0.885274 -2.030440
H -1.296578 -0.501160 -2.407552
H 0.400600 -0.754640 -1.961718
H -2.579845 -3.226311 0.542031
H -4.417772 -1.700536 0.479508
H -5.358683 0.586546 -0.338514
H -5.036783 0.710804 1.410779
H -4.443065 1.949308 0.303512
H 0.736568 3.813204 -0.627321
H -0.964475 4.405358 -0.366127
H 2.290801 -3.608336 0.792337
H 3.152130 -2.040198 0.484208
H -0.417525 6.178155 1.287022
H 0.880451 2.115421 1.930401
H 1.353269 -4.894583 -1.217334
H 4.161022 -1.651293 -1.703471
H 0.221697 6.752629 3.613687
H 1.510185 2.695290 4.273906
H 1.893242 -5.693141 -3.516798
H 4.692113 -2.452198 -3.991727
H 1.184092 5.015658 5.111108
H 3.562890 -4.473239 -4.900980


%chk=000118917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118917

0 1
O -0.501272 2.518620 -0.082550
O 1.092233 -2.033454 -0.029980
O -2.722382 3.111553 0.347885
O -0.358301 -3.839655 0.325599
N -3.597170 -1.114773 0.054461
C -0.940301 -0.151247 -0.458918
C -2.110492 0.768703 -0.063441
C -1.242964 -1.594184 -0.057406
C -3.399927 0.276986 0.084280
C -0.659096 -0.062394 -1.989797
C -2.538551 -2.017528 0.095362
C -1.868258 2.211018 0.093262
C -4.655015 1.084923 0.332539
C -0.184281 -2.608341 0.097556
C -0.119571 3.959576 0.108189
C 2.259531 -2.970777 0.116201
C 0.291045 4.242202 1.537685
C 2.717175 -3.496964 -1.227225
C -0.673708 4.646840 2.496642
C 1.645587 4.108436 1.935219
C 2.118115 -4.654916 -1.788627
C 3.752598 -2.840717 -1.939689
C -0.288439 4.908004 3.830195
C 2.032378 4.368971 3.268752
C 2.547085 -5.142351 -3.042757
C 4.183266 -3.327996 -3.194023
C 1.064901 4.770031 4.219493
C 3.580690 -4.481336 -3.748072
H -0.029175 0.189029 0.059282
H -0.419279 0.977988 -2.271256
H -1.538662 -0.393744 -2.571796
H 0.201152 -0.702200 -2.255781
H -2.776768 -3.066360 0.293336
H -4.549703 -1.462756 0.161880
H -5.554689 0.442961 0.281806
H -4.620763 1.571114 1.322933
H -4.751041 1.905506 -0.395259
H 0.723051 4.085590 -0.590512
H -0.977660 4.581930 -0.198527
H 1.953550 -3.788490 0.791162
H 3.027173 -2.339300 0.591130
H -1.721330 4.740207 2.189176
H 2.396044 3.795901 1.198514
H 1.311911 -5.155370 -1.240326
H 4.220126 -1.945456 -1.511146
H -1.039867 5.220617 4.564017
H 3.081971 4.263510 3.565560
H 2.079425 -6.037131 -3.468759
H 4.985375 -2.814001 -3.735545
H 1.363628 4.974908 5.253913
H 3.914455 -4.862479 -4.719938


