%chk=000198198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198198

0 1
O 5.661686 2.008174 1.450342
O -5.658524 1.733344 1.776331
O 7.189945 0.064682 0.305488
O -7.188782 0.314883 0.024426
N 1.068673 -1.999801 0.030156
N -1.069228 -0.264889 -1.979751
C 3.081041 0.174055 -0.367739
C -3.080311 -0.337999 0.229858
C 1.631203 0.279843 -0.582838
C -1.630541 -0.536253 0.365456
C 3.708211 1.138139 0.446501
C -3.706271 0.610402 1.063256
C 0.733526 -0.707190 -0.403121
C -0.733397 -0.503945 -0.637755
C 3.832108 -0.839884 -0.975928
C -3.832429 -1.088892 -0.682523
C 5.084617 1.061009 0.648313
C -5.082566 0.799620 0.957921
C 5.838593 0.026852 0.029223
C -5.837667 0.034919 0.027112
C 5.218453 -0.918280 -0.781587
C -5.218732 -0.907221 -0.788032
C 1.359422 -3.079798 0.394343
C -1.360588 -0.063021 -3.101323
H 1.289055 1.271514 -0.906802
H -1.288046 -0.711421 1.393761
H 3.140315 1.934575 0.926211
H -3.137451 1.202192 1.779614
H 3.341512 -1.575309 -1.612732
H -3.342779 -1.827830 -1.315980
H 5.792654 -1.708952 -1.258561
H -5.793732 -1.495468 -1.499163
H 6.647259 1.855708 1.527600
H -6.644144 1.787932 1.614634
H 7.670361 -0.680155 -0.131913
H -7.670145 -0.227933 -0.646798


%chk=000198198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198198

0 1
O 6.343335 1.434765 -1.862318
O -6.342922 -1.611947 1.712300
O 7.473814 -0.163133 0.004863
O -7.472963 -0.012894 -0.154162
N 0.793004 -1.181292 1.169074
N -0.792435 1.004348 -1.318011
C 3.242223 0.080232 -0.266154
C -3.241454 -0.256840 0.117315
C 1.811229 0.276563 -0.490306
C -1.810496 -0.453118 0.341714
C 4.119161 0.813940 -1.127641
C -4.118574 -0.990878 0.978341
C 0.695803 -0.263067 0.124839
C -0.695094 0.086525 -0.273430
C 3.824569 -0.768063 0.726359
C -3.823558 0.591917 -0.874930
C 5.510569 0.708324 -1.009192
C -5.509957 -0.885098 0.859716
C 6.065409 -0.143056 -0.013764
C -6.064564 -0.033133 -0.135342
C 5.224298 -0.874449 0.846712
C -5.223262 0.698496 -0.995431
C 0.835483 -1.978861 2.075158
C -0.835320 1.801511 -2.224434
H 1.578274 0.981657 -1.296617
H -1.577577 -1.158277 1.147982
H 3.715529 1.476072 -1.900886
H -3.715103 -1.653397 1.751335
H 3.200206 -1.345572 1.406977
H -3.199010 1.169533 -1.555302
H 5.655856 -1.529807 1.613459
H -5.654652 1.354168 -1.762004
H 7.290917 1.240422 -1.636574
H -7.290450 -1.417172 1.486704
H 7.831627 -0.759992 0.704895
H -7.830612 0.585177 -0.853242


