%chk=000212612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212612

0 1
O -1.004241 1.240553 -0.593534
O -2.445247 -0.967910 -1.256467
N 2.639799 1.294830 0.806648
C 3.887379 2.104944 0.601641
C 3.077620 0.106326 1.613646
C 5.103803 1.155662 0.694767
C 4.577742 -0.140423 1.338104
C 2.003227 0.886761 -0.487476
C 1.144692 2.043011 -1.026922
C -0.081249 2.297059 -0.155151
C -2.153780 1.053202 0.116825
C -2.861821 -0.136189 -0.209493
C -2.675714 1.914677 1.088878
C -4.067862 -0.447657 0.411488
C -3.891028 1.593917 1.707380
C -4.585277 0.430117 1.374153
C -1.279319 -1.705147 -1.080711
C -0.616854 -1.874745 0.140464
C -0.843024 -2.324479 -2.267046
C 0.514524 -2.695732 0.167108
C 0.287317 -3.135234 -2.207527
C 0.968690 -3.323299 -0.995914
H 3.868572 2.663242 -0.350677
H 3.914396 2.856911 1.418601
H 2.912953 0.371428 2.679835
H 2.461456 -0.786755 1.404828
H 5.529262 0.956950 -0.302294
H 5.911406 1.604689 1.294345
H 4.720143 -1.001220 0.664418
H 5.118466 -0.378665 2.267610
H 1.339875 0.006901 -0.306310
H 2.738536 0.570661 -1.256195
H 0.812917 1.793953 -2.058236
H 1.738891 2.973974 -1.101998
H -0.559467 3.267807 -0.359047
H 0.128084 2.171623 0.922119
H -2.157264 2.828896 1.360748
H -4.593699 -1.362265 0.138387
H -4.297301 2.270033 2.459946
H -5.529731 0.196870 1.860552
H -0.971120 -1.382604 1.041878
H -1.387580 -2.160528 -3.193334
H 1.040731 -2.850263 1.108615
H 0.645216 -3.627586 -3.111482
H 1.847179 -3.961499 -0.963570


%chk=000212612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212612

0 1
O -0.889481 1.166785 -0.526741
O -2.419668 -1.025221 -1.229250
N 2.614581 1.301061 0.770799
C 3.831934 2.167375 0.835283
C 3.048627 0.046713 1.452706
C 5.087235 1.216066 0.747969
C 4.508517 -0.218648 0.967820
C 2.107135 1.091563 -0.616474
C 1.195854 2.256744 -1.061955
C -0.069246 2.360922 -0.210973
C -2.101881 1.009230 0.140032
C -2.860233 -0.150309 -0.202540
C -2.625798 1.907933 1.102132
C -4.116005 -0.385489 0.382721
C -3.886710 1.661113 1.693396
C -4.638729 0.521684 1.335048
C -1.271630 -1.827794 -1.024471
C -0.688106 -2.044751 0.244845
C -0.762719 -2.465936 -2.178446
C 0.422156 -2.913651 0.348701
C 0.346008 -3.329834 -2.057746
C 0.945993 -3.559045 -0.795392
H 3.811900 2.919981 0.027875
H 3.837633 2.709388 1.799837
H 3.043019 0.221776 2.547141
H 2.349185 -0.776176 1.231637
H 5.595991 1.299043 -0.228301
H 5.825308 1.477463 1.527074
H 4.491872 -0.782586 0.017395
H 5.094617 -0.805267 1.697147
H 1.514225 0.159923 -0.629682
H 2.930264 0.970196 -1.360505
H 0.914525 2.122594 -2.123776
H 1.743267 3.217117 -0.982836
H -0.651744 3.273038 -0.452568
H 0.203213 2.351967 0.862677
H -2.060877 2.800373 1.386024
H -4.670488 -1.278374 0.077281
H -4.278872 2.368401 2.432406
H -5.617825 0.335887 1.787695
H -1.095770 -1.551156 1.132712
H -1.241159 -2.274724 -3.143648
H 0.869808 -3.093528 1.333317
H 0.741274 -3.825543 -2.951549
H 1.804101 -4.233507 -0.705216


