%chk=000209607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209607

0 1
O -0.700761 1.370608 0.887121
O -1.466949 0.232216 -2.200366
O 1.113694 1.593758 3.094559
N -3.727816 -1.404254 -1.448621
C -1.944682 0.175647 -0.843435
C -3.468248 -0.074644 -0.825116
C -3.594957 -2.560774 -0.507341
C -1.558978 1.546736 -0.264530
C -4.691809 -2.599044 0.569326
C -3.616677 -3.843378 -1.348962
C 0.657657 1.155242 0.665025
C 1.489295 1.283055 1.807379
C 3.424375 0.724422 0.451506
C 1.217718 0.810927 -0.566413
C 2.869843 1.063587 1.692286
C 2.594888 0.598874 -0.671245
C 4.907729 0.503659 0.321246
C 5.236396 -0.921206 -0.023234
C -0.276355 1.920052 3.340939
C 6.293083 -1.273994 -0.752261
H -1.393629 -0.641630 -0.320680
H -3.853378 0.017753 0.212898
H -3.976271 0.708308 -1.430363
H -2.595846 -2.473464 -0.002880
H -4.653830 -1.405612 -1.887253
H -1.074180 2.182173 -1.030543
H -2.405876 2.092617 0.187854
H -5.692738 -2.689413 0.135417
H -4.555182 -3.457288 1.237217
H -4.679841 -1.700281 1.194371
H -2.869458 -3.798250 -2.152405
H -4.589276 -4.014980 -1.821760
H -3.389348 -4.720360 -0.733892
H -1.833974 -0.529593 -2.712381
H 0.586727 0.696987 -1.454467
H 3.488606 1.163668 2.582394
H 3.022939 0.328468 -1.634914
H 5.317773 1.203964 -0.439413
H 5.434168 0.770144 1.265091
H 4.543840 -1.661092 0.384389
H -0.271501 2.130015 4.416069
H -0.911174 1.060989 3.097476
H -0.565439 2.798624 2.756155
H 6.997084 -0.573531 -1.175179
H 6.534155 -2.301205 -0.982464


%chk=000209607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209607

0 1
O -0.694445 1.416497 1.118865
O -1.375858 -0.348936 -1.773502
O 1.107077 1.762451 3.288293
N -3.768945 -1.453709 -1.468507
C -1.989465 -0.064066 -0.474821
C -3.527765 -0.239501 -0.650761
C -3.767106 -2.768783 -0.756863
C -1.625533 1.364939 -0.019774
C -4.998206 -2.965722 0.165129
C -3.664076 -3.899693 -1.799717
C 0.677217 1.160438 0.895102
C 1.548751 1.374716 2.005564
C 3.474516 0.635571 0.648545
C 1.212604 0.692115 -0.327428
C 2.926667 1.104896 1.866133
C 2.596713 0.435699 -0.444173
C 4.977897 0.380318 0.517230
C 5.316378 -0.931600 -0.167334
C 0.315484 3.003874 3.385416
C 6.117806 -1.060055 -1.254792
H -1.616478 -0.775745 0.293447
H -4.022464 -0.253219 0.344381
H -3.922006 0.627770 -1.214319
H -2.852265 -2.784196 -0.132710
H -4.587561 -1.364890 -2.084756
H -1.225788 1.924613 -0.887366
H -2.515870 1.887043 0.373574
H -5.927405 -3.018743 -0.434557
H -4.911620 -3.906160 0.739604
H -5.102138 -2.138638 0.890779
H -2.756803 -3.781254 -2.416946
H -4.543778 -3.893797 -2.472836
H -3.627400 -4.886842 -1.305388
H -2.029952 -1.004417 -2.186412
H 0.549594 0.470676 -1.170527
H 3.560929 1.273747 2.743774
H 2.993217 0.058425 -1.393638
H 5.457720 1.208532 -0.042398
H 5.426545 0.385849 1.531466
H 4.861511 -1.829605 0.278326
H 0.146853 3.149744 4.463840
H -0.644341 2.904767 2.852086
H 0.886463 3.861198 2.977126
H 6.579553 -0.186943 -1.733692
H 6.335571 -2.038866 -1.696864


