%chk=000198701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198701

0 1
O 0.982325 -1.303721 -0.362763
O 1.349312 0.270815 1.281568
O 3.137316 1.700086 -0.404722
O 5.065279 -0.498663 -0.364582
O 3.649277 -2.479018 -1.348804
O 0.160927 3.223027 0.514126
N -0.851420 1.365965 -0.045448
N -0.818372 2.540961 0.607663
C 1.326426 0.059385 -0.119028
C 2.781146 0.339542 -0.585462
C 3.744938 -0.582026 0.190602
C 3.355893 -2.064953 -0.009719
C 1.854623 -2.314620 0.193764
C 0.267770 0.875376 -0.893665
C -2.075458 0.584591 0.026290
C -2.017879 -0.818408 0.034040
C -3.315316 1.245869 0.093614
C -3.200358 -1.553400 0.108279
C -4.488907 0.497505 0.175654
C -4.444864 -0.906317 0.180965
C -5.705170 -1.700575 0.277680
H 2.882199 0.179916 -1.688170
H 3.795554 -0.302213 1.266831
H 3.956542 -2.712460 0.674448
H 1.528980 -3.211801 -0.375414
H 1.608121 -2.406933 1.266040
H -0.125406 0.256791 -1.735741
H 0.775300 1.764722 -1.355537
H 0.463110 0.150279 1.693126
H 2.848171 2.023391 0.489126
H 5.285229 0.445951 -0.557778
H 4.529844 -2.106483 -1.622189
H -1.058406 -1.344416 -0.025533
H -3.365153 2.335753 0.086987
H -3.152863 -2.642041 0.110384
H -5.447964 1.011718 0.233287
H -6.559075 -1.188278 -0.186524
H -5.620824 -2.681961 -0.208683
H -5.971044 -1.882759 1.330287


%chk=000198701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198701

0 1
O 1.062732 -1.424991 -0.276525
O 1.377988 0.353792 1.331879
O 3.149863 1.709846 -0.446321
O 5.153800 -0.373002 -0.394666
O 3.713024 -2.468705 -1.402571
O 0.272776 3.158844 0.341380
N -0.855266 1.243864 -0.098418
N -0.828165 2.520169 0.506399
C 1.365112 -0.007409 -0.082595
C 2.796308 0.294306 -0.578897
C 3.815540 -0.581184 0.172953
C 3.490031 -2.075770 -0.010732
C 2.028765 -2.353810 0.362215
C 0.296641 0.779106 -0.898213
C -2.104757 0.531037 -0.016968
C -2.131846 -0.871737 -0.219129
C -3.306972 1.228660 0.269577
C -3.360277 -1.561385 -0.140768
C -4.517782 0.516106 0.354787
C -4.573119 -0.889164 0.153160
C -5.884436 -1.644334 0.269567
H 2.850359 0.065829 -1.657239
H 3.797576 -0.317524 1.248826
H 4.141306 -2.672240 0.665114
H 1.730276 -3.348472 -0.002085
H 1.911248 -2.299082 1.461340
H -0.063102 0.143873 -1.720555
H 0.782502 1.687644 -1.299680
H 0.447659 0.424987 1.670109
H 2.717705 2.067034 0.375673
H 5.276489 0.605943 -0.508813
H 4.575717 -2.048517 -1.667758
H -1.203309 -1.419098 -0.415114
H -3.285592 2.311575 0.411056
H -3.370662 -2.645386 -0.305399
H -5.442738 1.064862 0.568719
H -6.740782 -1.019979 -0.040619
H -5.884635 -2.557763 -0.350391
H -6.070172 -1.957330 1.315701


