%chk=000185948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185948

0 1
O 3.647730 -1.127801 -1.577817
O -3.812157 0.084496 -1.073321
O -1.233691 -3.208964 1.422053
N 0.603891 2.337184 -0.449135
C 0.899915 0.903758 -0.096297
C 1.571850 1.054074 1.267412
C 1.879553 0.318341 -1.131377
C 0.299184 3.059235 0.838505
C -0.355422 0.026599 0.013618
C 0.940394 2.221789 1.971467
C -0.429772 2.485890 -1.502235
C 2.615554 -0.908939 -0.577732
C -1.757673 1.774266 -1.207168
C -1.567995 0.437938 -0.554415
C 3.300202 -0.673519 0.783956
C 2.626093 0.337034 1.659064
C -0.275253 -1.201204 0.690283
C -2.688313 -0.431451 -0.468167
C -1.403065 -2.021121 0.751372
C -2.633572 -1.671267 0.171990
C 4.161492 -2.468804 -1.623776
C -5.017188 -0.718980 -1.074031
H 2.626016 1.094799 -1.413431
H 1.360415 0.055532 -2.070933
H -0.783079 3.203118 1.016180
H 0.767127 4.061349 0.760703
H 0.182193 1.881365 2.700538
H 1.682683 2.811097 2.537000
H 0.013717 2.085386 -2.443351
H -0.601917 3.569584 -1.675642
H 1.948385 -1.796832 -0.542821
H -2.338043 1.655468 -2.147618
H -2.397697 2.401453 -0.550570
H 4.340409 -0.322314 0.586368
H 3.404807 -1.634566 1.323535
H 3.088120 0.479726 2.634453
H 0.642388 -1.517306 1.183085
H -3.486165 -2.330661 0.229084
H 3.363256 -3.180728 -1.853817
H 4.661117 -2.724229 -0.685557
H 4.885559 -2.421199 -2.446646
H -2.061211 -3.746763 1.443935
H -4.849206 -1.655040 -1.614148
H -5.717133 -0.070904 -1.617537
H -5.357794 -0.892389 -0.049359


%chk=000185948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185948

0 1
O 3.502525 -1.255780 -1.792050
O -3.818540 0.074327 -1.223879
O -1.375391 -3.165025 1.609062
N 0.565834 2.365342 -0.289562
C 0.921176 0.929366 -0.045621
C 1.658109 1.065387 1.284647
C 1.883623 0.392966 -1.138876
C 0.101488 2.912124 1.020746
C -0.357627 0.049311 0.060312
C 1.008878 2.200154 2.072532
C -0.334307 2.555629 -1.446507
C 2.635928 -0.860496 -0.663057
C -1.682038 1.792678 -1.328182
C -1.543779 0.455208 -0.610910
C 3.460520 -0.592516 0.622778
C 2.794176 0.388595 1.575757
C -0.334647 -1.155445 0.805027
C -2.681483 -0.399288 -0.539624
C -1.473261 -1.977414 0.852827
C -2.660710 -1.620549 0.171824
C 4.088435 -2.585165 -1.632298
C -5.020109 -0.759309 -1.211443
H 2.614990 1.192868 -1.358996
H 1.345365 0.144906 -2.071065
H -0.969079 2.681414 1.229651
H 0.219757 4.010752 1.028269
H 0.406088 1.826055 2.921216
H 1.775495 2.879987 2.483225
H 0.210324 2.214070 -2.346119
H -0.519728 3.637992 -1.577148
H 1.909410 -1.681180 -0.479174
H -2.116863 1.639595 -2.333946
H -2.430078 2.402270 -0.782012
H 4.440827 -0.172077 0.311831
H 3.683090 -1.543057 1.148828
H 3.320298 0.588288 2.520831
H 0.550612 -1.446070 1.376715
H -3.540132 -2.273297 0.213089
H 3.306358 -3.351159 -1.438483
H 4.833042 -2.620712 -0.809840
H 4.594571 -2.812329 -2.584463
H -2.232225 -3.659097 1.597702
H -4.831209 -1.746339 -1.677773
H -5.761366 -0.205723 -1.806546
H -5.402643 -0.902756 -0.181593


