%chk=000188425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188425

0 1
O -0.920949 0.784028 1.243912
O -3.101143 1.754367 1.751872
O -5.949244 0.335107 -0.744292
O 0.822644 1.537636 2.408191
O 3.521315 2.083666 -0.800170
N -3.619691 0.360287 -0.955292
N -3.147551 2.295385 0.441974
N 2.261381 0.325025 -0.060392
N 3.218452 -1.841576 0.350524
C -1.307058 0.452810 -0.122324
C -2.533209 1.335026 -0.552667
C -0.055805 0.692959 -0.996410
C -1.839793 -0.957353 -0.172583
C 1.056170 1.178020 -0.055741
C -3.179001 -0.970456 -0.649811
C -4.630887 2.254950 0.130505
C -4.904712 0.886741 -0.541707
C 0.406221 1.208826 1.338876
C -1.224374 -2.150848 0.175681
C -3.898569 -2.152970 -0.796828
C -5.003677 3.409168 -0.784160
C -1.937355 -3.350219 0.028498
C -3.251578 -3.347915 -0.452057
C 3.523777 0.918425 -0.460215
C 2.186981 -1.038158 0.327757
C 4.666410 -0.000958 -0.412602
C 4.493147 -1.348313 -0.012478
C 5.953016 0.461646 -0.765502
C 5.602523 -2.223752 0.029191
C 7.034409 -0.404693 -0.720646
C 6.855947 -1.746674 -0.322754
H -2.273975 1.964603 -1.447340
H -0.246014 1.436487 -1.794913
H 0.226225 -0.226669 -1.548513
H 1.376869 2.234355 -0.323854
H -5.207007 2.305019 1.096063
H -0.202020 -2.157635 0.566980
H -4.928300 -2.140791 -1.156690
H -4.484251 3.369979 -1.749928
H -6.084280 3.413382 -0.986923
H -4.747626 4.373797 -0.319989
H -2.190603 2.029354 2.114536
H -1.462362 -4.292763 0.298201
H -3.789298 -4.292172 -0.556742
H 1.185697 -1.425444 0.618846
H 6.074503 1.505608 -1.069916
H 5.451094 -3.258794 0.340901
H 8.030137 -0.054238 -0.990907
H 7.720515 -2.413064 -0.292762


%chk=000188425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188425

0 1
O -1.114095 -0.183558 1.652153
O -3.272011 1.424487 1.762010
O -5.701971 1.347169 -1.103689
O 0.761306 0.394818 2.897259
O 2.542314 1.783212 -1.180668
N -3.527095 0.413290 -0.873280
N -2.554661 2.044894 0.568680
N 2.287145 -0.007071 0.314052
N 4.105918 -1.450665 0.964850
C -1.466439 -0.357995 0.171725
C -2.217162 0.908306 -0.372273
C -0.073935 -0.572675 -0.475754
C -2.468714 -1.473286 -0.032515
C 0.854681 0.312283 0.384680
C -3.644037 -0.982319 -0.663340
C -3.746600 2.658064 -0.157137
C -4.496798 1.433413 -0.773907
C 0.244671 0.202243 1.791149
C -2.363334 -2.833264 0.306733
C -4.730403 -1.822945 -0.970730
C -3.313043 3.699841 -1.204189
C -3.448269 -3.693800 0.010982
C -4.614330 -3.188243 -0.618093
C 3.082837 0.826860 -0.546377
C 2.841921 -1.086166 1.015747
C 4.501272 0.444590 -0.602621
C 4.966876 -0.685791 0.148560
C 5.405337 1.189375 -1.405104
C 6.338794 -1.049846 0.077827
C 6.758127 0.818022 -1.462950
C 7.222790 -0.304485 -0.719656
H -1.637449 1.377553 -1.188463
H -0.064042 -0.294803 -1.540739
H 0.217885 -1.634364 -0.391239
H 0.773566 1.368988 0.053580
H -4.389128 3.119296 0.607768
H -1.470782 -3.219927 0.811391
H -5.629047 -1.422506 -1.446152
H -2.670957 3.267424 -1.992470
H -4.211680 4.115783 -1.691353
H -2.761120 4.520256 -0.716719
H -2.522728 1.036248 2.296567
H -3.388859 -4.755282 0.271523
H -5.444837 -3.868085 -0.837411
H 2.155124 -1.644936 1.659066
H 5.019401 2.046891 -1.965604
H 6.672556 -1.913589 0.660111
H 7.458415 1.391210 -2.079141
H 8.279694 -0.587720 -0.769439


