%chk=000186242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186242

0 1
O -3.193308 1.534819 1.207561
O -3.729095 3.465975 -1.465402
O -5.807618 3.279816 -0.100286
O -4.415856 -0.241774 2.837132
O 0.079819 2.031461 -0.157349
O -3.875855 -3.588836 0.210817
N -1.792772 0.763307 -0.530649
N 0.346121 -0.283187 -0.081587
N -2.445916 -0.722635 -2.281732
N -2.490007 -1.445132 1.376840
N -3.424326 -2.900317 -1.933808
N -3.138940 -2.067033 -4.141569
C -3.885944 2.111342 -1.033209
C -5.151708 2.023778 -0.132443
C -2.671675 1.868240 -0.103455
C -4.636884 1.625369 1.270264
C -5.191378 0.278501 1.754739
C -2.357413 -0.508957 -0.866445
C -0.379719 0.907258 -0.222978
C 3.962960 0.606700 0.057916
C 5.055833 1.648279 -0.011261
C 4.528161 -0.689168 0.270695
C -2.762703 -1.486484 0.005788
C 1.774076 -0.356290 0.047765
C 6.314483 0.832992 0.177528
C 5.986849 -0.550175 0.344193
C 2.596636 0.786526 -0.054882
C 3.705556 -1.802218 0.374608
C 2.318089 -1.637007 0.262883
C -2.982381 -1.935099 -2.741988
C -3.406455 -2.759258 -0.533055
C 7.631623 1.255812 0.203247
C 6.986244 -1.492604 0.535190
C 8.640212 0.292420 0.397316
C 8.323402 -1.055653 0.560192
H -3.935282 1.442098 -1.912872
H -5.932278 1.341263 -0.532235
H -2.053844 2.800867 0.041262
H -4.826377 2.432077 2.016222
H -5.117171 -0.522805 0.992714
H -6.245571 0.378326 2.078756
H -4.467875 3.710361 -2.076562
H -5.153398 4.011006 0.074886
H -0.160229 -1.172360 0.030545
H 4.939066 2.417310 0.777095
H 5.051394 2.187144 -0.978011
H -4.303343 0.431665 3.542953
H -2.122108 0.016193 -2.905341
H 2.166898 1.780594 -0.207075
H 4.124473 -2.793227 0.542219
H 1.672611 -2.508635 0.351034
H 7.891060 2.303505 0.078355
H 6.748132 -2.545048 0.663825
H -2.515468 -0.507402 1.799062
H -3.051290 -2.096264 1.933475
H 9.681077 0.611012 0.420103
H 9.118120 -1.784536 0.709681
H -3.519636 -2.971228 -4.432019
H -2.357975 -1.781183 -4.719950


%chk=000186242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186242

0 1
O -3.281946 1.379623 1.401434
O -3.932557 2.507265 -2.016098
O -4.940766 3.869215 0.111691
O -4.941447 0.177272 3.337811
O -0.074660 2.119603 0.037954
O -3.764869 -3.862644 -0.017529
N -1.876555 0.654664 -0.400149
N 0.316778 -0.194834 -0.207925
N -2.137528 -0.862649 -2.240780
N -3.158544 -1.565999 1.276157
N -2.976067 -3.098077 -2.094136
N -2.232638 -2.266647 -4.151259
C -4.136037 1.719417 -0.793206
C -5.118722 2.421637 0.188832
C -2.821474 1.674001 0.004733
C -4.657035 1.929387 1.581365
C -5.553869 0.830516 2.178055
C -2.309362 -0.629806 -0.840283
C -0.477833 0.940205 -0.164681
C 3.958493 0.666268 0.099729
C 5.059426 1.711082 0.245408
C 4.533350 -0.640006 0.055969
C -2.884793 -1.631812 -0.063935
C 1.735125 -0.278272 -0.110079
C 6.330172 0.868181 0.275380
C 5.998048 -0.518085 0.164363
C 2.572034 0.865150 0.020136
C 3.695615 -1.770326 -0.069809
C 2.301854 -1.584518 -0.153114
C -2.453501 -2.085778 -2.797112
C -3.245133 -2.945545 -0.731370
C 7.671022 1.273023 0.391185
C 7.013107 -1.501068 0.171228
C 8.689711 0.285923 0.396775
C 8.360962 -1.088618 0.288188
H -4.476465 0.690708 -1.021425
H -6.176042 2.159551 -0.022587
H -2.297305 2.645937 -0.009317
H -4.592028 2.800882 2.261518
H -5.707260 0.008301 1.458250
H -6.540501 1.273031 2.435805
H -4.610512 2.258168 -2.693229
H -4.599433 4.071784 -0.803789
H -0.189473 -1.085223 -0.271892
H 4.936704 2.308372 1.170221
H 5.057935 2.431732 -0.595763
H -4.692801 0.859931 4.011592
H -1.799713 -0.073161 -2.795834
H 2.123160 1.859359 0.066669
H 4.111378 -2.783162 -0.101113
H 1.641499 -2.456149 -0.246976
H 7.932267 2.334256 0.477320
H 6.767359 -2.565969 0.088394
H -3.150533 -0.679494 1.792026
H -3.571632 -2.409899 1.681010
H 9.739587 0.586720 0.486866
H 9.160762 -1.837825 0.295663
H -2.480602 -3.180665 -4.523138
H -1.705614 -1.613430 -4.724504


