%chk=000187570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187570

0 1
O -0.550173 2.157678 -0.570378
O -1.118392 0.370883 1.792978
O 2.106882 -0.832085 3.323525
O -3.037722 -0.874251 0.383154
O -0.676556 3.010596 -2.657152
O -0.591005 -3.460787 -1.300259
O -3.998505 1.091322 -0.213525
N 0.970393 -0.995146 -0.614438
N 1.795221 -2.014763 1.416580
N 1.594835 -3.296107 -0.614361
C 0.633509 0.232368 0.127413
C 1.579231 0.480657 1.333382
C 0.659087 1.394332 -0.911387
C 2.960095 1.016320 0.920860
C 2.858274 2.188483 -0.015098
C 1.815406 2.334130 -0.840762
C -0.842141 0.065304 0.663273
C 1.826118 -0.784280 2.150483
C 1.421742 -2.028893 0.036029
C 4.002562 3.146818 0.019871
C -1.822494 -0.542037 -0.322099
C -1.140813 2.951048 -1.544769
C 0.538450 -3.883263 -1.380829
C -2.330225 3.609548 -0.958706
C -4.050735 0.063262 0.421425
C 0.974834 -5.061962 -2.193846
C -5.131674 -0.446581 1.305371
H 1.075633 1.234629 2.007403
H 0.532317 0.996818 -1.952254
H 3.530272 1.290247 1.835296
H 3.553908 0.220767 0.418898
H 1.732531 3.174769 -1.534328
H 1.949626 -2.890740 1.923276
H 3.964303 3.879579 -0.798984
H 4.971006 2.633949 -0.055174
H 4.006465 3.720827 0.958935
H -2.024001 0.144066 -1.169186
H -1.487350 -1.536224 -0.713994
H 2.547892 -3.656293 -0.668549
H -2.685277 4.436872 -1.588631
H -3.168623 2.884195 -0.850549
H -2.141730 3.988938 0.058014
H 0.101283 -5.515199 -2.697050
H 1.438310 -5.854854 -1.590933
H 1.682852 -4.781304 -2.987872
H -6.122778 -0.282648 0.855952
H -5.022770 -1.522088 1.524212
H -5.114772 0.081499 2.274286


%chk=000187570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187570

0 1
O -0.530608 2.396271 -0.249862
O -1.285777 -0.011265 1.786447
O 1.781790 -0.650059 3.477752
O -3.179504 -1.006474 0.051842
O -1.146092 3.068110 -2.396049
O -0.305961 -3.456867 -1.643887
O -3.877900 1.217473 0.049016
N 1.006100 -0.954470 -0.628245
N 1.589843 -1.889816 1.519664
N 1.704477 -3.213786 -0.460659
C 0.520369 0.243329 0.123877
C 1.419214 0.562513 1.347274
C 0.467006 1.435133 -0.862941
C 2.843599 1.025764 0.915063
C 2.855281 1.992971 -0.254929
C 1.774942 2.146503 -1.065347
C -0.944194 -0.091775 0.586307
C 1.581954 -0.666840 2.239886
C 1.410834 -1.947001 0.114316
C 4.154325 2.734999 -0.485362
C -1.887222 -0.593626 -0.514719
C -1.294406 3.158229 -1.156185
C 0.857218 -3.859945 -1.392350
C -2.286962 4.018869 -0.417959
C -4.083575 0.021498 0.351586
C 1.481398 -5.081776 -2.054812
C -5.289011 -0.532324 1.071281
H 0.935407 1.350730 1.946615
H 0.057562 1.099341 -1.832955
H 3.340462 1.481967 1.792438
H 3.465794 0.147470 0.639521
H 1.811681 2.835252 -1.917637
H 1.674893 -2.752068 2.066407
H 4.109883 3.368070 -1.387468
H 5.001864 2.030492 -0.600547
H 4.397283 3.382987 0.379695
H -2.036486 0.201151 -1.269873
H -1.465980 -1.491779 -1.000779
H 2.599469 -3.653415 -0.233308
H -2.652226 4.819007 -1.078590
H -3.134120 3.377258 -0.114470
H -1.838343 4.442405 0.494827
H 0.684851 -5.792110 -2.322335
H 2.225304 -5.589660 -1.415582
H 1.985479 -4.769878 -2.988211
H -6.132821 0.167865 0.984283
H -5.562852 -1.521670 0.672149
H -5.038941 -0.658648 2.140319


