%chk=000289386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289386

0 1
O -0.503038 -2.052881 -1.217086
O -2.431364 1.417384 -0.088754
O 3.107898 3.440489 1.044148
O 5.440569 -2.257012 -0.082351
O 5.167824 2.520287 1.171351
O 3.870706 -3.298391 -1.331803
N -0.079497 0.174513 -0.788200
N -7.723867 1.824259 -0.128514
C 1.314603 0.084973 -0.486303
C -2.353024 -0.556288 -1.417787
C 2.067851 -1.081251 -0.720380
C 1.937837 1.234235 0.041948
C 3.435951 -1.083381 -0.423909
C 3.306777 1.207221 0.327049
C -0.905939 -0.911047 -1.122270
C -4.427462 0.120008 -0.089234
C 4.067018 0.051644 0.100190
C -3.012999 0.423580 -0.471881
C -5.385055 1.124696 -0.240658
C -4.767774 -1.135202 0.427134
C -6.725095 0.857233 0.115524
C 4.000304 2.399611 0.881331
C 4.204466 -2.329353 -0.692282
C -6.097105 -1.387589 0.788298
C -7.076429 -0.409793 0.635930
C 3.652676 4.675472 1.583057
C 6.316638 -3.402243 -0.263100
H -2.417875 -0.143960 -2.453757
H -2.924372 -1.514649 -1.483139
H 1.593678 -1.989279 -1.130855
H 1.366874 2.148496 0.235054
H -0.522115 1.099474 -0.624358
H 5.139501 0.036941 0.332919
H -5.098200 2.101625 -0.625969
H -4.012491 -1.907145 0.562351
H -6.367534 -2.363947 1.194152
H -8.107582 -0.623348 0.908330
H -7.420204 2.784429 -0.203805
H -8.584383 1.731204 0.391252
H 2.768990 5.319646 1.637222
H 4.409617 5.070615 0.898124
H 4.085575 4.486578 2.570774
H 5.815350 -4.311573 0.084281
H 6.587258 -3.488350 -1.319963
H 7.176844 -3.141732 0.362737


%chk=000289386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289386

0 1
O -0.341603 -2.677603 -0.844740
O -2.364751 0.963776 0.149442
O 2.768349 3.451870 1.024457
O 5.868942 -1.909730 -0.497944
O 4.993967 2.782933 0.868215
O 4.156139 -3.413538 -0.975327
N -0.097800 -0.429346 -0.189005
N -7.160467 2.577642 0.473448
C 1.312284 -0.296213 -0.119244
C -2.369461 -1.401954 -0.509889
C 2.216823 -1.350999 -0.409658
C 1.818026 0.972881 0.265718
C 3.611903 -1.120997 -0.311902
C 3.211424 1.188867 0.360162
C -0.831683 -1.551793 -0.528166
C -4.537152 -0.010945 -0.178383
C 4.118134 0.141648 0.070802
C -3.044015 -0.072306 -0.157818
C -5.148101 1.225589 0.148335
C -5.339750 -1.139240 -0.508880
C -6.561331 1.362619 0.152290
C 3.773126 2.511073 0.763651
C 4.521517 -2.264306 -0.629611
C -6.744000 -1.004259 -0.505062
C -7.355477 0.222627 -0.181180
C 3.247452 4.791789 1.433031
C 6.838984 -2.987401 -0.796152
H -2.717568 -1.725912 -1.510010
H -2.742083 -2.182381 0.182293
H 1.844699 -2.334202 -0.706209
H 1.134917 1.797186 0.494341
H -0.681353 0.402241 0.036511
H 5.193809 0.316870 0.144859
H -4.497923 2.071809 0.397979
H -4.889295 -2.102447 -0.763102
H -7.373500 -1.864488 -0.757165
H -8.449224 0.306053 -0.184109
H -6.597064 3.388943 0.710670
H -8.171172 2.678094 0.475854
H 2.333241 5.380581 1.592309
H 3.872598 5.232874 0.638453
H 3.841603 4.719198 2.359545
H 6.683283 -3.841266 -0.115310
H 6.720004 -3.331463 -1.837481
H 7.824948 -2.528177 -0.639218


