%chk=000279773.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279773

0 1
O -2.603246 -0.910140 -1.834102
O -3.482513 0.709870 0.999766
O -4.458291 -0.816233 -0.439356
O 0.013669 -2.152492 0.419441
O 1.061195 1.096622 1.243676
O -1.422984 2.306618 -2.473433
O 1.349443 -2.471398 -1.374925
N -0.400414 1.416358 -0.558626
C -1.382978 0.383128 -0.185594
C -2.843808 0.905097 -0.264392
C -3.569799 -0.045398 -1.253168
C -1.326935 -0.836520 -1.148679
C -4.405404 -0.422270 0.953844
C -1.154871 -2.182873 -0.437217
C -3.858303 -1.552672 1.797703
C -5.775441 0.088361 1.353451
C 0.794431 1.665715 0.218658
C -0.490067 2.279305 -1.716336
C 1.528696 2.733799 -0.535444
C 0.770624 3.093060 -1.685225
C 2.738182 3.333905 -0.260555
C 1.219249 4.053299 -2.565606
C 1.253098 -2.326133 -0.178491
C 3.201810 4.321618 -1.163152
C 2.462134 4.671735 -2.286207
C 2.316020 -2.312655 0.851048
C 3.477436 -3.068686 0.619320
C 2.179669 -1.557530 2.024085
C 4.496054 -3.074723 1.572993
C 3.207228 -1.566714 2.972117
C 4.359822 -2.325634 2.748773
H -1.158822 0.062081 0.875061
H -2.935741 1.985361 -0.484881
H -4.160776 0.346151 -2.097828
H -0.583355 -0.718612 -1.970543
H -1.073679 -3.010974 -1.165776
H -1.975194 -2.392156 0.287690
H -3.502244 -1.182422 2.768175
H -4.616065 -2.324340 1.980266
H -3.005290 -2.050535 1.301716
H -6.557620 -0.627522 1.067492
H -5.843066 0.264942 2.433265
H -6.004335 1.038830 0.852232
H 3.323221 3.060723 0.618844
H 0.642277 4.330452 -3.449346
H 4.158190 4.809146 -0.965115
H 2.837011 5.434323 -2.971508
H 3.576263 -3.642279 -0.304853
H 1.278052 -0.954355 2.183130
H 5.397474 -3.660998 1.401816
H 3.105980 -0.978818 3.883471
H 5.157814 -2.333718 3.491226


%chk=000279773-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279773

0 1
O -2.170743 -0.408586 -2.073809
O -2.844082 -0.128720 1.187101
O -4.045895 -0.959270 -0.647867
O 0.516952 -2.005601 -0.049685
O 1.779651 1.316626 0.499909
O -1.956801 2.866655 -1.928469
O 0.116446 -4.225353 0.527815
N -0.272031 1.788922 -0.617791
C -0.960148 0.550015 -0.212766
C -2.473559 0.738467 0.051645
C -3.195839 0.118030 -1.193025
C -0.905626 -0.552857 -1.314381
C -4.137280 -0.772498 0.824254
C -0.791059 -1.975436 -0.748925
C -4.204542 -2.136458 1.498906
C -5.315584 0.154119 1.167346
C 1.080689 2.060153 -0.230411
C -0.794758 2.825005 -1.453703
C 1.435031 3.363764 -0.871746
C 0.313997 3.819329 -1.605884
C 2.629734 4.098047 -0.828678
C 0.346847 5.024439 -2.322505
C 0.848411 -3.207095 0.593172
C 2.674983 5.318517 -1.551913
C 1.551488 5.774480 -2.287639
C 2.136551 -3.102537 1.334566
C 2.658161 -4.284198 1.924094
C 2.826292 -1.868813 1.476970
C 3.867853 -4.237160 2.645585
C 4.035044 -1.830154 2.204782
C 4.558750 -3.009160 2.786724
H -0.456685 0.202146 0.705061
H -2.758327 1.785284 0.243292
H -3.802309 0.806235 -1.797649
H -0.087145 -0.368206 -2.029767
H -0.804675 -2.722447 -1.560726
H -1.598477 -2.206487 -0.036011
H -4.203703 -2.016537 2.595494
H -5.129036 -2.657630 1.198752
H -3.341601 -2.755867 1.207333
H -6.260551 -0.301179 0.824949
H -5.368470 0.313664 2.258051
H -5.207234 1.135818 0.673385
H 3.490678 3.737200 -0.257559
H -0.526595 5.365072 -2.887054
H 3.590756 5.919013 -1.543834
H 1.617321 6.719574 -2.836937
H 2.101271 -5.219754 1.805775
H 2.414923 -0.956975 1.034393
H 4.271170 -5.149750 3.097651
H 4.565408 -0.878770 2.320477
H 5.498148 -2.971381 3.350155


