%chk=000216211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216211

0 1
O -3.166117 0.683112 1.457281
O 1.548017 0.990737 2.878186
O -0.864419 1.136792 -1.690839
O 1.533619 -1.218619 2.555644
N -0.767295 2.971335 -0.360640
C -3.263070 -2.439469 -0.476232
C 1.335158 -0.702926 -0.417355
C -0.487653 0.683313 0.659352
C 1.023267 0.343466 0.680587
C -0.903880 -1.733319 0.102217
C -1.359408 -0.537558 0.539786
C -1.829535 -2.897770 -0.088115
C 0.547841 -1.999834 -0.164593
C -3.760619 -1.442970 0.595111
C -2.784968 -0.330825 0.899898
C -3.245113 -1.767482 -1.856043
C -4.193997 -3.663287 -0.504865
C 2.821273 -0.934184 -0.567182
C -0.746345 1.594391 -0.558594
C 1.385913 -0.121021 2.074152
C 3.497470 -0.312877 -1.629693
C 3.539392 -1.746514 0.321633
C -1.042844 3.857520 -1.529032
C -0.733169 3.624257 0.974983
C 4.871200 -0.503613 -1.798349
C 4.913092 -1.936272 0.149839
C 5.582365 -1.316126 -0.909566
C 0.230003 4.559887 -1.998206
C -2.120873 3.715977 1.601799
H 0.936727 -0.265946 -1.384113
H -0.765612 1.214892 1.612561
H 1.617444 1.274381 0.467447
H -1.445477 -3.591054 -0.862238
H -1.862557 -3.495233 0.847428
H 0.969864 -2.541197 0.718475
H 0.684051 -2.683070 -1.027098
H -4.730093 -0.998730 0.287394
H -3.986340 -1.972667 1.544075
H -2.897420 -2.449369 -2.637761
H -2.574912 -0.891888 -1.877730
H -4.238240 -1.413247 -2.148983
H -5.221099 -3.374853 -0.756149
H -4.227880 -4.181140 0.458583
H -3.874606 -4.391697 -1.258128
H 2.951373 0.318790 -2.329849
H 3.026092 -2.229536 1.157488
H -1.461837 3.236251 -2.359933
H -1.823033 4.598559 -1.250787
H -0.041460 3.061211 1.644832
H -0.291645 4.640085 0.858566
H 1.773032 0.758831 3.817776
H 5.387972 -0.019050 -2.625091
H 5.462345 -2.569087 0.845281
H 6.651851 -1.465053 -1.042343
H 0.667657 5.191370 -1.217738
H 0.996610 3.833569 -2.298395
H 0.024895 5.196678 -2.866389
H -2.801658 4.339331 1.012620
H -2.601829 2.722385 1.681062
H -2.075420 4.132966 2.612776


%chk=000216211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216211

0 1
O -3.316269 0.718217 1.272260
O 1.372055 0.975246 2.997552
O -0.994066 1.196381 -1.748044
O 1.353736 -1.297282 2.553167
N -0.746146 3.023639 -0.333916
C -3.344546 -2.571128 -0.474486
C 1.327830 -0.641059 -0.418428
C -0.587219 0.701719 0.627814
C 0.944144 0.356257 0.717381
C -0.953328 -1.742844 0.000211
C -1.441949 -0.544371 0.464485
C -1.862736 -2.946549 -0.182922
C 0.511579 -1.951603 -0.317309
C -3.798411 -1.586281 0.637234
C -2.873934 -0.384075 0.810125
C -3.466402 -1.902363 -1.870555
C -4.222946 -3.843885 -0.432759
C 2.837579 -0.850451 -0.546230
C -0.810494 1.662473 -0.572182
C 1.248481 -0.125509 2.128366
C 3.553454 -0.103960 -1.519214
C 3.565490 -1.746192 0.281707
C -0.935303 3.939523 -1.488448
C -0.590445 3.653769 1.002771
C 4.952119 -0.240679 -1.664248
C 4.963676 -1.887973 0.137003
C 5.664457 -1.136229 -0.834164
C 0.402822 4.321179 -2.155335
C -1.944671 3.924707 1.696158
H 0.985979 -0.136415 -1.342535
H -0.907356 1.206239 1.554009
H 1.519554 1.290909 0.580324
H -1.469747 -3.582658 -1.000719
H -1.821014 -3.571444 0.736875
H 0.933664 -2.619144 0.460417
H 0.602770 -2.502196 -1.274555
H -4.821314 -1.208715 0.455079
H -3.824940 -2.122153 1.611330
H -3.171350 -2.613077 -2.665768
H -2.826818 -1.006064 -1.959887
H -4.512401 -1.597716 -2.062134
H -5.283480 -3.595030 -0.624762
H -4.163462 -4.345539 0.552216
H -3.903505 -4.569293 -1.204963
H 3.004286 0.583999 -2.175130
H 3.042780 -2.328471 1.047841
H -1.582573 3.427787 -2.219994
H -1.462652 4.841016 -1.125297
H 0.052240 3.026919 1.643752
H -0.041376 4.602919 0.852197
H 1.533876 0.644155 3.922822
H 5.482287 0.343517 -2.425121
H 5.506962 -2.585754 0.784668
H 6.748806 -1.249583 -0.945158
H 1.088779 4.809257 -1.438431
H 0.896429 3.418988 -2.555905
H 0.229070 5.020908 -2.993498
H -2.565385 4.615002 1.096070
H -2.510716 2.985971 1.826199
H -1.779854 4.387590 2.686865


