%chk=000184034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184034

0 1
O 3.945587 1.486787 1.492914
O -3.943204 1.487932 -1.493600
O 5.113506 1.256907 0.651982
O -5.110977 1.260420 -0.651818
O 2.362630 -1.839667 1.126167
O -2.363416 -1.839622 -1.123278
O 0.223850 -1.191547 1.675899
O -0.224276 -1.194259 -1.674841
N 0.640582 -3.061268 0.293473
N -0.642124 -3.061342 -0.289164
C 3.162600 0.433844 0.786658
C -3.161029 0.435059 -0.786337
C 4.379349 0.253659 -0.189613
C -4.377556 0.257394 0.190670
C 2.930129 -0.681461 1.814574
C -2.930138 -0.681787 -1.812930
C 1.883134 1.001615 0.228725
C -1.880742 1.002195 -0.229647
C 5.105411 -1.071660 -0.143664
C 4.209812 0.802957 -1.586998
C -4.206807 0.808169 1.587328
C -5.105086 -1.067189 0.146632
C 0.993533 -1.913694 1.084849
C -0.994361 -1.914750 -1.082321
H 2.267058 -0.352126 2.636841
H 3.868809 -1.091692 2.232618
H -2.267138 -0.354156 -2.635932
H -3.869405 -1.091660 -2.230006
H 1.090313 1.067582 0.989156
H 2.036054 2.021364 -0.154756
H 1.489448 0.390896 -0.598737
H -1.088266 1.066633 -0.990561
H -2.032498 2.022478 0.152870
H -1.487195 0.391957 0.598257
H 4.405568 -1.915319 -0.225703
H 5.666178 -1.187703 0.795246
H 5.838126 -1.172408 -0.954526
H 3.829801 1.834869 -1.572864
H 3.518116 0.195043 -2.182932
H 5.169358 0.838847 -2.120857
H -3.825967 1.839755 1.571779
H -3.515251 0.200391 2.183567
H -5.166012 0.845444 2.121697
H -4.406151 -1.911495 0.229722
H -5.666123 -1.183900 -0.792031
H -5.837793 -1.166009 0.957738
H 1.359507 -3.373312 -0.388369
H -1.361245 -3.371770 0.393222


%chk=000184034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184034

0 1
O 4.678863 1.270162 1.597057
O -4.676313 1.272675 -1.597527
O 5.947786 0.518214 1.045310
O -5.945910 0.522328 -1.045156
O 2.592191 -1.792719 0.881797
O -2.592279 -1.791204 -0.878791
O 0.525153 -0.938953 1.657922
O -0.524387 -0.940295 -1.655778
N 0.677550 -2.743664 0.148977
N -0.678587 -2.743142 -0.144781
C 3.815668 0.377776 0.693343
C -3.813941 0.380542 -0.692784
C 5.095972 0.053928 -0.156507
C -5.094624 0.058618 0.157254
C 3.342935 -0.748154 1.632074
C -3.341979 -0.746745 -1.630256
C 2.665976 1.154075 0.066518
C -2.663767 1.156634 -0.066578
C 5.438594 -1.392788 -0.504351
C 5.345666 1.011524 -1.326116
C -5.343673 1.017643 1.325824
C -5.438475 -1.387454 0.506580
C 1.197956 -1.734300 0.965409
C -1.197979 -1.734138 -0.962308
H 2.688852 -0.322221 2.412732
H 4.199181 -1.263443 2.091593
H -2.687402 -0.322164 -2.411237
H -4.198578 -1.261780 -2.089397
H 1.961783 1.488648 0.848233
H 3.032970 2.036825 -0.478806
H 2.097265 0.518149 -0.637277
H -1.959412 1.490195 -0.848582
H -3.030262 2.039994 0.478085
H -2.095398 0.520929 0.637689
H 4.890243 -1.709837 -1.409496
H 5.201869 -2.094021 0.309979
H 6.520353 -1.465254 -0.720567
H 5.277881 2.060029 -0.992169
H 4.617950 0.845919 -2.141860
H 6.360022 0.845255 -1.729532
H -5.275088 2.065741 0.990762
H -4.616123 0.852372 2.141784
H -6.358175 0.852550 1.729356
H -4.890499 -1.704000 1.412127
H -5.202249 -2.089747 -0.306984
H -6.520321 -1.458780 0.722748
H 1.308309 -3.257698 -0.469068
H -1.309870 -3.255824 0.473857


