%chk=000201188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201188

0 1
O -0.041110 -2.189973 1.382796
O 0.243593 -4.258741 -0.404176
N 1.750469 2.203858 -0.332641
N -0.711850 -0.650202 -0.276668
C 2.212839 -0.307167 -0.075067
C 1.355894 0.814086 -0.748881
C 1.555509 -1.672371 -0.402661
C -0.106037 0.610728 -0.502545
C 2.287908 -0.087343 1.451346
C 0.080283 -1.864585 -0.008400
C 3.628536 -0.265277 -0.709113
C 2.728605 1.339671 1.787167
C 1.783269 2.371469 1.157859
C -1.049652 1.619211 -0.468673
C 0.823660 3.203997 -0.961404
C -0.685488 3.048297 -0.636800
C -2.091956 -0.410129 -0.040324
C -2.326328 1.003729 -0.188158
C -0.553356 -3.111555 -0.689566
C 4.593037 -1.322463 -0.182779
C -3.135428 -1.300212 0.262541
C -3.630452 1.500376 -0.045876
C -4.410110 -0.770973 0.401254
C -4.657664 0.613210 0.245327
H 1.533408 0.766292 -1.861709
H 1.660563 -1.869594 -1.490238
H 2.133688 -2.489886 0.081769
H 2.989904 -0.815531 1.902267
H 1.295573 -0.288643 1.913503
H 4.055641 0.747382 -0.538139
H 3.544734 -0.360711 -1.809495
H 2.759673 1.483710 2.883103
H 3.763095 1.509565 1.423286
H 0.774351 2.289965 1.619319
H 2.155827 3.398198 1.365614
H 0.971940 3.130164 -2.061665
H 1.168003 4.217418 -0.667919
H -1.286971 3.511072 -1.444893
H -0.942631 3.606903 0.286559
H -0.540383 -3.035020 -1.791818
H -1.589944 -3.275533 -0.329837
H 4.714100 -1.258630 0.905322
H 4.259413 -2.339291 -0.419840
H 5.587649 -1.196680 -0.627799
H 0.334920 -1.471720 1.958414
H -2.938759 -2.363164 0.391952
H -3.820479 2.564319 -0.164198
H 0.273767 -4.397702 0.575088
H -5.244819 -1.429735 0.637713
H -5.675739 0.979212 0.359681


%chk=000201188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201188

0 1
O -0.137602 -2.561709 1.213610
O 0.136874 -4.263380 -0.923891
N 1.747276 2.163920 -0.398333
N -0.687963 -0.655982 -0.188574
C 2.202535 -0.337716 -0.050103
C 1.380341 0.763311 -0.789454
C 1.557476 -1.702752 -0.438235
C -0.099032 0.568363 -0.567827
C 2.156201 -0.060269 1.480100
C 0.049897 -1.924975 -0.115594
C 3.664470 -0.304664 -0.604229
C 2.619792 1.377978 1.806721
C 1.726732 2.396401 1.072054
C -1.042040 1.586929 -0.556210
C 0.878441 3.125616 -1.138979
C -0.655221 3.026379 -0.805137
C -2.055070 -0.412282 0.093695
C -2.298875 0.991775 -0.142146
C -0.558310 -2.988317 -1.071101
C 4.696819 -1.181133 0.136682
C -3.069300 -1.271365 0.571388
C -3.599439 1.516582 0.075756
C -4.351669 -0.721908 0.780255
C -4.617958 0.655325 0.528657
H 1.623065 0.676517 -1.870949
H 1.684141 -1.829555 -1.531493
H 2.105083 -2.538549 0.030626
H 2.768149 -0.806728 2.020896
H 1.111274 -0.160270 1.844223
H 4.007474 0.746689 -0.615177
H 3.624478 -0.621394 -1.667061
H 2.557760 1.560947 2.896282
H 3.674297 1.520392 1.506805
H 0.695156 2.327729 1.496616
H 2.089896 3.426719 1.248262
H 1.026396 2.930038 -2.218195
H 1.239287 4.150634 -0.934267
H -1.226843 3.465717 -1.646899
H -0.899999 3.641870 0.085155
H -0.417401 -2.674202 -2.117172
H -1.640972 -3.095144 -0.868784
H 4.878226 -0.823996 1.166958
H 4.382339 -2.239714 0.194709
H 5.666822 -1.156044 -0.392652
H 0.320613 -2.021570 1.905893
H -2.864729 -2.318439 0.809786
H -3.805330 2.578309 -0.101622
H 0.120325 -4.476445 0.046436
H -5.156254 -1.366288 1.152120
H -5.626933 1.046650 0.700999


