%chk=000191867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191867

0 1
O -0.231665 -1.018601 0.241247
O -4.145668 -0.404786 0.493131
O 1.004504 -0.917880 2.152095
O -3.212909 0.280868 2.483165
O 3.212164 0.739984 -4.667637
O 4.238015 1.857015 -3.125505
N -2.489400 -1.648063 1.379199
N 1.894458 -4.030660 0.263072
N 3.452710 -2.201643 0.828373
N 3.256703 -3.077571 -1.399659
N 3.367177 1.091670 -3.509236
C -1.038111 -3.320585 2.481390
C -1.293925 -1.821515 2.220797
C -0.302450 -4.044281 1.350408
C 1.225472 -4.099410 1.570498
C -0.030613 -1.194845 1.608263
C -3.258085 -0.484857 1.542117
C 0.724912 -0.470497 -0.610516
C -5.070633 0.736663 0.506565
C -4.400909 1.929215 -0.110939
C 2.798593 -3.136625 -0.035166
C 0.587403 -0.898048 -1.942748
C 1.691207 0.456721 -0.200992
C 1.459996 -0.380636 -2.892611
C 2.554755 0.974465 -1.163666
C 2.438956 0.553418 -2.499313
C -3.581839 2.754021 0.674963
C -4.591094 2.222104 -1.468711
C -2.965729 3.870729 0.105763
C -3.973304 3.341961 -2.033257
C -3.162485 4.167098 -1.247427
H -0.484277 -3.427805 3.437618
H -2.018524 -3.814436 2.665065
H -1.467918 -1.285441 3.207133
H -0.526368 -3.577335 0.367797
H -0.688055 -5.078658 1.250076
H 1.548534 -3.324568 2.299919
H 1.505479 -5.079617 2.025560
H -2.486783 -2.115344 0.468955
H -5.902863 0.327440 -0.097701
H -5.404355 0.919501 1.545899
H -0.176873 -1.629357 -2.206503
H 1.763180 0.769789 0.843196
H 1.399871 -0.693586 -3.942092
H 3.323412 1.707729 -0.890229
H -3.420588 2.511592 1.729845
H -5.215454 1.578792 -2.086718
H -2.331523 4.510967 0.717297
H -4.123032 3.570391 -3.087317
H -2.683083 5.039496 -1.689103
H 3.869497 -1.395193 0.373390
H 2.900988 -1.900583 1.633160
H 4.269843 -3.066719 -1.491734
H 2.870784 -3.827187 -1.976575


%chk=000191867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191867

0 1
O 0.561133 -0.410929 -0.101975
O -4.007975 -0.157820 -0.071775
O 1.397665 0.123456 2.033288
O -3.653250 -0.057922 2.266675
O 5.777123 -0.520778 -3.763444
O 5.950028 1.588348 -2.911470
N -1.927353 -0.536004 0.753876
N 1.420417 -4.305780 0.009950
N 3.809715 -4.055960 0.380904
N 2.977935 -5.057560 -1.577177
N 5.353188 0.448155 -3.020949
C -0.842211 -2.199978 2.320429
C -0.910814 -0.721099 1.793007
C -0.415453 -3.251095 1.268019
C 1.107333 -3.513368 1.215725
C 0.460876 -0.261349 1.315195
C -3.225471 -0.233870 1.092711
C 1.789768 -0.164962 -0.779423
C -5.433285 0.273770 0.137682
C -5.579899 1.776207 0.031031
C 2.679020 -4.463422 -0.338820
C 2.251374 -1.198104 -1.623661
C 2.469297 1.067439 -0.655001
C 3.427413 -0.996120 -2.368822
C 3.645761 1.270432 -1.400174
C 4.108102 0.235975 -2.244794
C -5.382564 2.598922 1.170912
C -5.913881 2.379744 -1.207746
C -5.512002 4.001521 1.068421
C -6.045019 3.782702 -1.311080
C -5.843822 4.596581 -0.171868
H -0.164904 -2.222993 3.197330
H -1.858703 -2.415425 2.697398
H -1.187203 -0.084001 2.652794
H -0.751824 -2.949288 0.258528
H -0.919519 -4.213159 1.473813
H 1.662715 -2.545214 1.232300
H 1.399022 -4.051097 2.148549
H -1.676660 -0.653054 -0.228391
H -5.970063 -0.250273 -0.668617
H -5.755043 -0.099710 1.125105
H 1.701696 -2.142854 -1.672200
H 2.089547 1.845091 0.011491
H 3.821011 -1.771846 -3.029861
H 4.206782 2.206169 -1.339050
H -5.117325 2.130780 2.125692
H -6.068636 1.749096 -2.092052
H -5.358464 4.629467 1.953165
H -6.305124 4.239409 -2.272548
H -5.947176 5.684883 -0.249542
H 4.705660 -3.922969 -0.083008
H 3.697650 -3.675936 1.316211
H 3.823660 -5.619542 -1.670458
H 2.159847 -5.359369 -2.105695


