%chk=000190802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190802

0 1
O 1.005570 4.757204 -0.067156
O -6.794042 -0.110460 0.009114
O 5.227505 -1.438053 -1.244952
O 4.841042 -2.481765 1.257573
N 3.298527 -1.314481 0.007452
C -0.715679 0.250828 -0.004257
C 0.411905 1.154415 -0.019218
C -2.027412 0.754249 -0.011643
C -0.482010 -1.175942 0.020360
C 1.757045 0.658974 -0.011044
C 0.172794 2.549821 -0.038988
C -3.146058 -0.163879 0.005967
C 1.938744 -0.795044 0.006466
C 0.892145 -1.656339 0.022220
C -2.892224 -1.561656 0.031227
C -1.547906 -2.045995 0.037980
C -2.230435 2.181314 -0.035853
C -1.177153 3.043967 -0.048796
C 2.824610 1.555666 -0.013193
C 1.301721 3.419886 -0.046406
C 2.608635 2.942097 -0.031987
C -4.492103 0.294449 -0.000938
C -3.990264 -2.480029 0.049482
C -5.520248 -0.627514 0.017186
C -5.288192 -2.034149 0.042836
C 4.024952 -1.362749 -1.247742
C 3.874166 -1.763176 1.260794
C 3.178518 -1.274168 -2.479800
C 3.167302 -1.290294 2.493910
H 1.045188 -2.736449 0.033332
H -1.385086 -3.123385 0.056973
H -3.256884 2.555040 -0.043074
H -1.319257 4.127493 -0.066370
H 3.855516 1.189416 0.000505
H 3.457165 3.620492 -0.035321
H -4.716562 1.360952 -0.020298
H -3.774923 -3.549746 0.068904
H -6.126655 -2.724325 0.056561
H 1.821768 5.321232 -0.071919
H 2.400230 -2.050861 -2.510438
H 2.667176 -0.303114 -2.567129
H 3.802799 -1.397483 -3.379596
H 2.179383 -1.760502 2.611058
H 3.756572 -1.545214 3.389714
H 3.007762 -0.201828 2.501636
H -7.483747 -0.817595 0.022870


%chk=000190802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190802

0 1
O 1.031717 4.836380 -0.090197
O -6.892042 -0.128089 0.020644
O 5.291750 -1.544484 -1.282445
O 4.933860 -2.464600 1.311697
N 3.320015 -1.323543 0.009359
C -0.712509 0.263728 -0.006472
C 0.415674 1.161764 -0.026290
C -2.053766 0.774130 -0.014197
C -0.472768 -1.172182 0.022919
C 1.768422 0.650247 -0.015517
C 0.186592 2.582849 -0.051624
C -3.177812 -0.152903 0.008745
C 1.965844 -0.794047 0.004683
C 0.889436 -1.657125 0.023254
C -2.908563 -1.579395 0.038091
C -1.564383 -2.053938 0.044062
C -2.238051 2.202804 -0.043611
C -1.162120 3.077611 -0.061642
C 2.850700 1.563195 -0.019271
C 1.314253 3.462542 -0.063027
C 2.628329 2.957682 -0.044905
C -4.536929 0.281974 0.004000
C -4.009506 -2.498438 0.060821
C -5.585524 -0.643328 0.026984
C -5.328286 -2.050891 0.055658
C 4.050297 -1.388264 -1.240455
C 3.897551 -1.764290 1.261693
C 3.204351 -1.241403 -2.500779
C 3.146308 -1.334863 2.519460
H 1.065160 -2.739234 0.034772
H -1.384623 -3.135845 0.065262
H -3.250010 2.616441 -0.050949
H -1.317730 4.159325 -0.082375
H 3.877272 1.184235 -0.001462
H 3.484195 3.644318 -0.048980
H -4.800141 1.341694 -0.017450
H -3.797222 -3.573242 0.082755
H -6.161188 -2.765259 0.073390
H 1.864169 5.370474 -0.096769
H 2.383602 -1.978473 -2.527686
H 2.746472 -0.238164 -2.565774
H 3.866330 -1.390000 -3.366617
H 2.209744 -1.907418 2.640278
H 3.798263 -1.541217 3.381403
H 2.877750 -0.264928 2.498642
H -7.562984 -0.854528 0.037927


