%chk=000189677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189677

0 1
O -0.722802 -0.596544 0.245526
O 0.042559 2.245869 0.408758
O 3.266494 -0.030528 -1.493153
O 1.692852 0.770231 1.636536
O 0.469482 -1.990765 1.573760
O 0.825042 1.782661 -1.675790
N -3.908748 -0.001706 0.123068
C -2.709508 0.690135 0.743087
C -1.755426 -0.421317 1.262910
C -2.602578 -1.698756 1.354552
C -3.913094 -1.423119 0.592861
C -2.174408 1.581186 -0.364137
C -3.768216 0.168470 -1.372772
C -2.745706 1.266858 -1.539478
C 1.344999 -1.204339 -0.615090
C 2.533510 -0.268734 -0.297091
C -1.243496 2.713278 -0.111702
C 2.117059 1.106969 0.321956
C 1.858432 -2.591251 -1.102132
C 0.399439 -1.346252 0.558463
C 3.267237 2.130736 0.349324
C 0.942683 1.720626 -0.474978
C 2.631867 -3.344894 -0.020061
C 0.684665 -3.428206 -1.620338
C 4.393703 1.693457 1.277699
H -3.079254 1.289097 1.609861
H -1.243764 -0.156865 2.208088
H -2.797732 -1.965009 2.408153
H -2.053023 -2.557807 0.928157
H -4.061027 -2.140978 -0.235782
H -4.792114 -1.524544 1.266688
H -4.764331 0.468434 -1.762567
H -3.459616 -0.753457 -1.905449
H -2.561365 1.706271 -2.505892
H 0.762347 -0.747708 -1.468048
H 3.276126 -0.759761 0.379889
H -1.049871 3.316255 -1.020506
H -1.580241 3.362176 0.721400
H 2.557731 -2.382603 -1.955747
H 2.880807 3.119254 0.667155
H 3.661978 2.263089 -0.682159
H 2.036116 -3.469067 0.898149
H 2.918202 -4.345826 -0.359316
H 3.551535 -2.820744 0.262650
H -0.005031 -3.705454 -0.814017
H 1.039629 -4.362631 -2.070922
H 0.106888 -2.897587 -2.384378
H 2.695490 0.411433 -2.174400
H 1.276063 1.545266 2.085663
H 4.003323 1.334525 2.240854
H 4.982798 0.877099 0.839590
H 5.083098 2.520279 1.482111


%chk=000189677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189677

0 1
O -0.759755 -0.577705 0.244732
O -0.009393 2.285893 0.495893
O 3.180970 0.008957 -1.590870
O 1.682897 0.693839 1.731828
O 0.393136 -2.122938 1.574181
O 0.802331 1.785928 -1.640278
N -3.848718 -0.069889 0.049309
C -2.771594 0.723857 0.745844
C -1.775438 -0.336041 1.305052
C -2.686193 -1.564301 1.520961
C -3.643028 -1.523322 0.306393
C -2.284143 1.698858 -0.321872
C -3.950493 0.364138 -1.372836
C -2.942137 1.489061 -1.491074
C 1.344035 -1.303720 -0.598490
C 2.491351 -0.269101 -0.328514
C -1.307510 2.807926 -0.069346
C 2.065567 1.066245 0.365934
C 1.927558 -2.687403 -1.040455
C 0.341980 -1.412917 0.548987
C 3.229541 2.109706 0.398628
C 0.893854 1.715759 -0.390594
C 2.803028 -3.390460 0.024898
C 0.789502 -3.622640 -1.515769
C 4.501337 1.579110 1.088177
H -3.181547 1.274228 1.622337
H -1.245196 -0.022198 2.221213
H -3.249151 -1.420117 2.462153
H -2.111326 -2.498097 1.602713
H -3.168755 -2.022098 -0.570546
H -4.597614 -2.039216 0.516674
H -4.974781 0.704883 -1.631784
H -3.703845 -0.469340 -2.071893
H -2.783859 2.054001 -2.414912
H 0.766538 -0.902202 -1.454430
H 3.249036 -0.726230 0.325704
H -1.084715 3.367401 -0.993616
H -1.643141 3.496007 0.725582
H 2.572169 -2.454540 -1.912320
H 2.850919 3.001713 0.937641
H 3.463563 2.420431 -0.635676
H 2.228764 -3.580016 0.947119
H 3.163795 -4.357635 -0.372057
H 3.695870 -2.796114 0.290907
H 0.140995 -3.921557 -0.670841
H 1.207050 -4.545706 -1.957686
H 0.156839 -3.136075 -2.282514
H 2.544132 0.520537 -2.162965
H 1.066881 1.392365 2.075774
H 4.260931 1.141959 2.073027
H 4.997576 0.812560 0.468797
H 5.220987 2.403417 1.241880


