%chk=000201445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201445

0 1
O -1.217559 -1.618414 -0.442770
O -0.071914 -3.564244 -0.603975
N 2.872602 -0.483726 1.054134
C -0.090161 0.326803 0.466991
C 0.818349 0.851272 1.618783
C -0.389923 -1.184629 0.698481
C 1.941026 -0.073303 2.149486
C 0.657438 0.562951 -0.853119
C -1.408794 1.109781 0.399777
C -1.150820 -1.563264 1.976202
C 2.624922 0.619430 3.345451
C 0.678572 1.859367 -1.399075
C -2.264270 0.895339 -0.698105
C 1.348599 -0.458907 -1.519527
C -1.795690 2.037057 1.376484
C -2.651723 -1.299193 1.931157
C 3.742949 -1.622683 1.473920
C 3.701553 0.633934 0.519452
C 1.356542 2.119278 -2.591570
C -3.468903 1.588333 -0.811225
C 2.025504 -0.197382 -2.714728
C -3.003605 2.734538 1.262116
C -0.962158 -2.846615 -1.000263
C 2.029439 1.089928 -3.257354
C -3.843543 2.514376 0.169559
C -1.924174 -3.083309 -2.113113
H 1.266021 1.811848 1.290273
H 0.176646 1.106726 2.490721
H 0.572666 -1.760711 0.643318
H 1.472763 -1.021422 2.532425
H -0.703832 -1.037431 2.842753
H -0.983560 -2.646952 2.159124
H 3.450622 0.013679 3.734019
H 3.039402 1.595420 3.072885
H 1.924748 0.779684 4.170747
H 0.153955 2.671893 -0.896739
H -1.977233 0.169604 -1.463718
H 1.395975 -1.463830 -1.090782
H -1.163173 2.220811 2.245902
H -2.886629 -0.236747 2.069570
H -3.177600 -1.860844 2.709374
H -3.074514 -1.589604 0.959091
H 4.444349 -1.395470 2.289473
H 3.110483 -2.470982 1.780943
H 4.327037 -1.960174 0.601823
H 4.209095 0.283913 -0.395193
H 3.043092 1.464502 0.213381
H 4.459523 1.021915 1.213522
H 1.358096 3.125987 -3.004185
H -4.118734 1.410401 -1.665853
H 2.555540 -1.003120 -3.218978
H -3.285723 3.451660 2.030503
H 2.553338 1.291106 -4.188128
H -4.781342 3.056934 0.079419
H -2.355705 -4.093723 -2.047876
H -2.750358 -2.355273 -2.115678
H -1.413907 -3.007918 -3.086802


%chk=000201445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201445

0 1
O -1.199648 -1.693501 -0.486165
O -0.004411 -3.698323 -0.373326
N 2.885957 -0.484843 1.076627
C -0.131747 0.364694 0.454243
C 0.783620 0.847926 1.647573
C -0.435185 -1.156081 0.691432
C 1.947391 -0.058594 2.145563
C 0.635575 0.589577 -0.886446
C -1.444004 1.208019 0.400787
C -1.204899 -1.558713 1.976703
C 2.638857 0.634353 3.359330
C 0.709206 1.908998 -1.407287
C -2.339141 1.018577 -0.689942
C 1.306979 -0.436983 -1.597781
C -1.794810 2.182053 1.370771
C -2.738233 -1.363501 1.976569
C 3.647728 -1.706257 1.395496
C 3.732597 0.575419 0.501736
C 1.421000 2.198281 -2.592567
C -3.545640 1.740394 -0.784984
C 2.009310 -0.156017 -2.791068
C -3.003392 2.913307 1.277612
C -0.881117 -2.982862 -0.914286
C 2.072513 1.162037 -3.298260
C -3.891299 2.692110 0.203942
C -1.713633 -3.358042 -2.121103
H 1.179315 1.848201 1.383490
H 0.150090 0.997356 2.541619
H 0.535043 -1.683919 0.694930
H 1.499822 -0.997021 2.530389
H -0.766502 -1.016382 2.836071
H -0.987811 -2.631610 2.146342
H 3.476964 0.019973 3.736085
H 3.037877 1.627139 3.080900
H 1.925751 0.777888 4.192418
H 0.188426 2.721940 -0.887631
H -2.080028 0.292009 -1.464034
H 1.322943 -1.460370 -1.215662
H -1.134027 2.394386 2.215693
H -3.027550 -0.301368 1.943154
H -3.167431 -1.808830 2.893312
H -3.198818 -1.863361 1.107093
H 4.422666 -1.571485 2.191897
H 2.957937 -2.506932 1.719568
H 4.167874 -2.059157 0.485717
H 4.212859 0.195256 -0.418219
H 3.116610 1.442147 0.209634
H 4.539790 0.929761 1.188786
H 1.457171 3.228263 -2.966009
H -4.215878 1.563935 -1.634276
H 2.515250 -0.971789 -3.320834
H -3.244342 3.657498 2.045712
H 2.619370 1.376683 -4.223530
H -4.828203 3.255928 0.131433
H -1.626902 -4.437334 -2.313467
H -2.769076 -3.078603 -1.968564
H -1.347466 -2.803631 -3.004682


