%chk=000281082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281082

0 1
O -1.857953 -0.846586 1.457015
O -1.352176 2.002937 1.436110
O -4.866075 -1.097075 -1.415634
O 1.736781 -0.126915 -1.808099
O 4.549928 -0.175811 1.915787
N 0.393557 0.512837 -0.077603
N 4.007399 0.167886 -0.269276
C -1.921161 1.003420 -0.758419
C -0.823556 -0.093410 -0.664842
C -2.403323 1.426365 0.645138
C -2.869173 0.159618 1.399483
C -1.313365 -1.297827 0.187517
C -3.143073 0.519805 -1.548160
C -4.139387 -0.360991 0.715004
C -4.105948 -0.385402 -0.798082
C -0.207891 -2.253465 0.603621
C 1.624807 0.388134 -0.704293
C 2.827156 0.992719 0.059164
C 3.017644 2.441182 -0.391426
C 4.799217 -0.391182 0.741588
C 5.942469 -1.234056 0.255456
H -1.477379 1.883210 -1.285639
H -0.576089 -0.465049 -1.700124
H -3.224022 2.175421 0.580083
H -3.022593 0.362442 2.486241
H -2.120812 -1.835427 -0.359165
H -2.821919 0.000295 -2.479227
H -3.724849 1.391589 -1.920629
H -5.026131 0.221749 1.040590
H -4.345513 -1.394810 1.082350
H 0.282091 0.850949 0.888251
H 0.381630 -1.839969 1.436113
H -0.619833 -3.205608 0.960811
H 0.481515 -2.465120 -0.222878
H -1.087421 2.868313 1.060996
H 2.666600 0.957085 1.176191
H 3.166767 2.519560 -1.476646
H 2.153912 3.060830 -0.127344
H 3.901392 2.883985 0.089254
H 4.151174 -0.034015 -1.257713
H 6.510843 -1.625113 1.116017
H 5.604393 -2.101306 -0.327720
H 6.647968 -0.665594 -0.364761


%chk=000281082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281082

0 1
O -2.106113 -0.750671 1.534317
O -1.259911 2.059977 1.374988
O -4.818053 -1.097693 -1.636628
O 1.840527 -0.770917 -1.481806
O 5.402964 0.658934 1.538271
N 0.401927 0.202517 0.072047
N 4.053089 -0.004715 -0.228490
C -1.795574 0.936143 -0.826655
C -0.839043 -0.270776 -0.561956
C -2.328830 1.510514 0.512758
C -3.025307 0.373184 1.285158
C -1.543467 -1.355942 0.299979
C -3.018436 0.547833 -1.703249
C -4.294015 -0.066246 0.510848
C -4.090754 -0.295769 -0.993693
C -0.622258 -2.484494 0.758234
C 1.647077 -0.071481 -0.431801
C 2.827509 0.551766 0.349920
C 2.806215 2.103580 0.285456
C 5.269621 0.065357 0.420326
C 6.427904 -0.620848 -0.303439
H -1.214570 1.711533 -1.362917
H -0.544608 -0.731169 -1.524008
H -3.074370 2.308562 0.305094
H -3.292718 0.717542 2.297761
H -2.373014 -1.787088 -0.302130
H -2.711646 0.017409 -2.622042
H -3.525703 1.478309 -2.037339
H -5.063686 0.727384 0.614858
H -4.721704 -0.980793 0.956749
H 0.275259 0.775548 0.916191
H 0.165573 -2.092550 1.422549
H -1.199983 -3.243319 1.311750
H -0.139899 -2.964761 -0.111247
H -0.994048 2.949223 1.029165
H 2.770225 0.253591 1.416611
H 2.816084 2.449561 -0.762946
H 1.911860 2.513185 0.791031
H 3.700048 2.487863 0.803063
H 3.917217 -0.539491 -1.095802
H 7.338887 -0.509751 0.302238
H 6.223625 -1.697248 -0.450947
H 6.599701 -0.168194 -1.297170


