%chk=000197810.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197810

0 1
O -0.664415 1.565614 1.945102
O -4.606081 -1.685775 0.392320
O -6.001440 -0.053553 -0.617463
O 5.091120 -1.627117 -1.060914
O 5.919229 0.369606 -0.078523
N -0.207061 -1.070906 0.901053
C -0.453418 0.975664 -0.458538
C 0.322466 -0.362484 -0.320164
C -0.122643 1.960701 0.692759
C -1.939397 0.731701 -0.529881
C 1.808834 -0.091439 -0.216163
C 1.395838 2.180738 0.850565
C -1.617118 -1.529543 0.662459
C 2.294153 1.093662 0.344339
C -2.465718 -0.467578 0.026135
C 2.688044 -1.082595 -0.738026
C -2.769649 1.684227 -1.126211
C 0.632935 -2.223924 1.332777
C -3.838053 -0.617200 -0.062206
C 3.696079 1.341494 0.441529
C 4.032085 -0.829409 -0.639608
C -4.674684 0.360079 -0.668492
C 4.531903 0.371856 -0.049980
C -4.169488 1.521167 -1.210994
C -5.995616 -1.345152 0.072594
C 6.310286 -0.891216 -0.718001
H -0.110939 1.452773 -1.414012
H 0.132426 -0.965535 -1.250833
H -0.635204 2.937796 0.518057
H 1.590404 2.335442 1.939717
H 1.676032 3.139501 0.365985
H -2.046081 -1.788155 1.662966
H -1.676427 -2.456929 0.044800
H 2.308675 -1.993684 -1.192231
H -2.335461 2.594392 -1.539849
H 1.619064 -1.845025 1.655514
H 0.792459 -2.996004 0.566335
H 0.172263 -2.698991 2.214390
H 4.077225 2.256700 0.885978
H -0.485026 0.598525 2.120272
H -4.804795 2.270482 -1.672695
H -6.539465 -1.225287 1.018896
H -6.374242 -2.102003 -0.626213
H 6.831170 -0.645959 -1.652749
H 6.866231 -1.483661 0.020304


%chk=000197810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197810

0 1
O -0.434513 1.267188 2.065063
O -4.642325 -1.749505 0.301967
O -6.080810 -0.082203 -0.656237
O 5.158015 -1.661965 -1.010256
O 6.002204 0.374035 -0.045551
N -0.244873 -1.080491 0.866353
C -0.469107 1.010219 -0.426448
C 0.324859 -0.321254 -0.330611
C -0.101656 1.915852 0.800488
C -1.963963 0.760094 -0.528011
C 1.824346 -0.060914 -0.219619
C 1.396116 2.293133 0.744405
C -1.627145 -1.550372 0.567629
C 2.323349 1.156490 0.324290
C -2.500512 -0.459532 -0.018870
C 2.722890 -1.059635 -0.708045
C -2.817411 1.734738 -1.101304
C 0.580225 -2.201198 1.373663
C -3.886423 -0.616392 -0.112503
C 3.731351 1.370258 0.425545
C 4.089520 -0.823210 -0.598779
C -4.729227 0.359816 -0.673067
C 4.585033 0.370606 -0.034601
C -4.223469 1.555991 -1.187404
C -6.064249 -1.346204 0.123273
C 6.400479 -0.928940 -0.645371
H -0.131189 1.543093 -1.337567
H 0.142677 -0.929142 -1.248918
H -0.708763 2.840623 0.754561
H 1.679257 2.668893 1.744898
H 1.534189 3.137022 0.035107
H -2.076887 -1.923886 1.506623
H -1.600280 -2.417673 -0.138036
H 2.344928 -1.983098 -1.156151
H -2.378092 2.660564 -1.489872
H 1.569717 -1.835232 1.684262
H 0.721290 -3.010358 0.620218
H 0.076690 -2.636792 2.254835
H 4.126221 2.300085 0.845355
H -0.362294 0.256047 1.875391
H -4.876994 2.310070 -1.632182
H -6.511642 -1.163037 1.118357
H -6.588218 -2.128048 -0.448655
H 6.986897 -0.737512 -1.560232
H 6.956289 -1.515229 0.107108


