%chk=000179410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179410

0 1
O -0.317045 0.543782 -1.750423
O 0.098080 -0.845478 2.548743
O -3.697510 0.584354 -1.906309
O -5.274202 1.350615 -0.307151
O 3.166517 2.902226 0.218781
O 5.133257 1.654768 -0.243102
N 0.317748 -2.605517 0.119347
C 0.220453 -1.119343 0.084383
C -0.798873 -0.578645 -1.008951
C 1.574221 -0.451436 -0.040934
C -0.410603 -0.714316 1.471958
C -1.976910 -0.067152 -0.219824
C 1.273290 -3.135688 -0.901176
C 2.736148 -1.180116 -0.319088
C -1.754840 -0.127352 1.191769
C 2.680181 -2.667936 -0.504828
C 1.619582 0.959160 0.157436
C -0.999070 -3.300020 0.042462
C -3.183234 0.435223 -0.627755
C 4.008191 -0.549846 -0.411081
C -2.679548 0.307706 2.122801
C 2.851869 1.554994 0.071226
C 4.036872 0.807384 -0.207937
C -4.144708 0.887974 0.342785
C -3.926544 0.838594 1.700295
C -5.014276 1.204692 -1.745018
C 4.616377 2.998615 0.045204
H -1.080691 -1.368422 -1.738427
H 1.033158 -2.816919 -1.937580
H 1.228898 -4.246686 -0.884607
H 3.417641 -3.011853 -1.255543
H 2.970897 -3.148349 0.459993
H 0.711458 1.532889 0.348218
H -1.486486 -3.280672 -0.943433
H -1.696978 -2.874812 0.782971
H -0.842540 -4.354468 0.331912
H 4.908416 -1.119709 -0.620252
H -2.455110 0.245853 3.190657
H 0.552654 0.340857 -2.161886
H -4.664211 1.188406 2.417572
H -5.764363 0.514632 -2.152624
H -4.972706 2.211784 -2.182176
H 5.051554 3.327397 0.998225
H 4.810983 3.626830 -0.833531


%chk=000179410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179410

0 1
O -0.378313 0.658500 -1.797942
O 0.092769 -0.649607 2.598860
O -3.806648 0.349652 -1.996065
O -5.463291 1.082144 -0.423505
O 3.393798 2.921590 0.292227
O 5.292982 1.620791 -0.379634
N 0.318365 -2.509858 0.128360
C 0.225493 -1.026193 0.109519
C -0.804508 -0.512034 -1.015035
C 1.615019 -0.397905 -0.057904
C -0.444542 -0.564753 1.467439
C -2.033759 -0.091383 -0.239005
C 1.148487 -3.055190 -0.963825
C 2.742824 -1.165526 -0.459513
C -1.806096 -0.066159 1.168561
C 2.612208 -2.655571 -0.727856
C 1.755131 0.999139 0.220616
C -0.932954 -3.248897 0.381294
C -3.289087 0.313613 -0.679768
C 4.026156 -0.555477 -0.589239
C -2.784721 0.354868 2.098576
C 3.020825 1.563060 0.102554
C 4.139231 0.800447 -0.294495
C -4.272326 0.737542 0.248084
C -4.057282 0.769474 1.635094
C -5.133679 1.005649 -1.877578
C 4.877072 2.918160 0.222424
H -1.011258 -1.348614 -1.715139
H 0.814404 -2.711776 -1.976389
H 1.053292 -4.155778 -0.950457
H 3.235673 -2.945649 -1.595869
H 2.987404 -3.214722 0.151354
H 0.897934 1.606128 0.521368
H -1.697731 -3.172244 -0.429438
H -1.396459 -2.902625 1.320581
H -0.687858 -4.318005 0.510361
H 4.894291 -1.141937 -0.903689
H -2.547397 0.354811 3.166676
H 0.590654 0.566899 -1.996155
H -4.845518 1.101246 2.315160
H -5.889701 0.385149 -2.382363
H -5.069853 2.032569 -2.280823
H 5.288684 2.984253 1.247692
H 5.208283 3.738221 -0.432013


