%chk=000193003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193003

0 1
O 0.213178 -0.679679 0.221722
O 1.655394 -0.014976 -1.478281
O -2.978750 1.001014 0.475950
O -1.485425 -1.998542 -1.820823
O 1.700520 -2.812535 0.918142
O -4.107791 -2.357352 -0.518254
O 4.135038 -1.234064 1.670516
O 3.956906 1.518853 0.885364
O -0.932034 2.573461 2.142826
O 2.703840 3.372676 -1.112868
N -5.189135 0.449327 0.116979
C -1.049873 -0.235765 -0.329453
C -1.938702 -1.474512 -0.561840
C -1.606078 0.684255 0.779656
C 1.174009 -1.129231 -0.746997
C 2.276425 -1.792804 0.120095
C -3.432136 -1.103777 -0.689279
C 2.996892 -0.729669 0.978339
C 3.472898 0.438499 0.077988
C 2.279391 1.034096 -0.696700
C -3.887871 -0.136176 0.432829
C -0.901092 2.050402 0.815933
C 2.682691 2.089830 -1.737757
H -0.870968 0.302426 -1.289509
H -1.785546 -2.250540 0.223801
H -1.552188 0.187225 1.775466
H 0.710872 -1.779652 -1.524415
H 2.990256 -2.354265 -0.529345
H -3.653098 -0.705301 -1.705355
H 2.342690 -0.356430 1.805563
H 4.298848 0.118357 -0.593998
H 1.516223 1.454476 0.015402
H -3.894556 -0.641480 1.427652
H -1.358708 2.764774 0.107846
H 0.193537 1.946602 0.606141
H 1.912355 2.187612 -2.529004
H 3.662179 1.881196 -2.201289
H -1.991577 -2.817786 -2.038401
H 0.990672 -2.434856 1.498585
H -5.145126 1.046921 -0.707781
H -5.541224 1.016784 0.886033
H 4.542274 -1.993591 1.203931
H -5.084549 -2.221298 -0.566994
H 4.511955 1.160323 1.622269
H -1.846883 2.843434 2.377369
H 3.339165 3.362238 -0.350253


%chk=000193003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193003

0 1
O 0.229638 -0.666350 0.345199
O 1.627843 0.068311 -1.509388
O -3.090244 1.048700 0.527181
O -1.461686 -2.237803 -1.548393
O 1.887734 -2.726313 1.025207
O -4.219260 -2.248737 -0.890385
O 4.397213 -1.220471 1.418027
O 4.410903 1.492755 0.539572
O -1.658819 2.741330 2.200174
O 3.264940 3.396988 -1.119881
N -5.341429 0.296264 0.041813
C -1.094663 -0.255699 -0.165577
C -2.002931 -1.470528 -0.424010
C -1.721106 0.635939 0.931790
C 1.201457 -1.060408 -0.702498
C 2.364477 -1.707387 0.082345
C -3.436984 -1.018940 -0.739807
C 3.184615 -0.639829 0.832490
C 3.639964 0.443677 -0.144651
C 2.406329 1.111305 -0.782070
C -4.013310 -0.127361 0.377890
C -0.969053 1.948772 1.184316
C 2.778245 2.199003 -1.802761
H -0.959835 0.318680 -1.103971
H -2.034679 -2.103774 0.490970
H -1.784238 0.060100 1.881856
H 0.719502 -1.752535 -1.409810
H 3.023128 -2.243394 -0.622483
H -3.434715 -0.434646 -1.687141
H 2.555295 -0.184017 1.626827
H 4.262919 -0.023815 -0.937377
H 1.779306 1.559896 0.013135
H -4.036743 -0.686511 1.336971
H -0.870084 2.510987 0.230760
H 0.032720 1.739854 1.588933
H 1.879981 2.504317 -2.363911
H 3.526693 1.800934 -2.521496
H -2.127208 -2.939000 -1.773637
H 1.042174 -2.370954 1.412186
H -5.404825 0.872324 -0.803664
H -5.907224 0.655043 0.814113
H 4.129284 -2.025041 1.932954
H -5.178031 -1.986066 -0.895212
H 5.090366 1.048608 1.109207
H -2.607396 2.806054 1.913241
H 3.944637 3.100236 -0.451232


