%chk=000213746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213746

0 1
O -1.965853 -1.520653 -0.936714
O 2.708440 -3.310480 0.571638
O -0.115055 -3.110120 0.024651
N -2.045078 0.521198 0.026564
C -1.488660 1.615632 0.860738
C -3.516141 0.560128 -0.224321
C -1.185073 2.865051 0.014340
C -4.300932 -0.060151 0.944115
C -1.334524 -0.582377 -0.419802
C 0.141295 -0.703813 -0.254648
C 1.025810 0.378660 -0.402681
C 2.394337 0.215912 -0.198115
C 0.657439 -1.987965 -0.003637
C -0.542406 3.956495 0.861548
C -5.803492 0.051539 0.709869
C 2.055618 -2.148562 0.238295
C 2.908458 -1.047964 0.146189
C 3.321744 1.393677 -0.337182
C 3.261324 2.275187 0.878460
C 1.938120 -4.540054 0.619815
C 3.189696 3.603300 0.823829
H -0.571295 1.265422 1.387173
H -2.221837 1.865517 1.661734
H -3.732887 -0.004613 -1.164396
H -3.822517 1.613399 -0.395822
H -0.505746 2.588919 -0.824226
H -2.111278 3.241017 -0.460893
H -4.011813 -1.126568 1.053703
H -4.026989 0.427487 1.898820
H 0.635560 1.358875 -0.695892
H 0.435190 3.643649 1.253638
H -0.374192 4.865495 0.271159
H -1.168358 4.236513 1.716332
H -6.108541 -0.464021 -0.209407
H -6.364387 -0.403691 1.535119
H -6.130272 1.094135 0.628581
H 3.973349 -1.191077 0.330106
H 3.079408 1.959818 -1.262251
H 4.372531 1.055836 -0.482272
H 3.290561 1.736847 1.828696
H -1.040337 -2.937276 -0.409971
H 1.506281 -4.752268 -0.363652
H 2.705704 -5.271076 0.895995
H 1.153926 -4.463167 1.380514
H 3.167151 4.229941 1.703428
H 3.157421 4.169750 -0.094866


%chk=000213746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213746

0 1
O -1.990752 -1.535911 -0.837379
O 2.644386 -3.610988 0.026291
O -0.174421 -3.165980 -0.404008
N -1.955720 0.594695 0.037208
C -1.443737 1.647901 0.948233
C -3.419733 0.640093 -0.237112
C -1.253738 3.031847 0.283061
C -4.269653 -0.060198 0.849752
C -1.283990 -0.549119 -0.348387
C 0.191957 -0.731156 -0.214972
C 1.137142 0.333114 -0.206882
C 2.520564 0.089692 -0.095451
C 0.670097 -2.092861 -0.199039
C -0.794217 4.089220 1.309256
C -5.777766 0.049935 0.540648
C 2.066945 -2.334737 -0.004048
C 2.962486 -1.249570 0.042358
C 3.535466 1.233683 -0.160145
C 3.134509 2.467064 0.626468
C 1.964148 -4.684068 0.783127
C 3.036338 3.719333 0.112298
H -0.499533 1.307169 1.402395
H -2.176735 1.752018 1.774635
H -3.600517 0.149888 -1.208209
H -3.711785 1.703886 -0.322233
H -0.514788 2.957399 -0.536819
H -2.205599 3.353025 -0.182661
H -3.967908 -1.121517 0.896192
H -4.058373 0.388321 1.841141
H 0.801888 1.365240 -0.335155
H 0.182099 3.814813 1.749528
H -0.680096 5.078790 0.832340
H -1.524403 4.194212 2.134088
H -6.017405 -0.419691 -0.431441
H -6.379020 -0.458042 1.315674
H -6.106658 1.105872 0.497238
H 4.027067 -1.483027 0.155777
H 3.710002 1.522699 -1.216265
H 4.506580 0.861036 0.224079
H 2.925206 2.301981 1.695015
H -1.088841 -2.743940 -0.696750
H 0.970735 -4.895829 0.359636
H 2.631892 -5.554069 0.689418
H 1.866443 -4.398234 1.848624
H 2.764645 4.579525 0.734811
H 3.236494 3.919989 -0.948037


