%chk=000073500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073500

0 1
 O    2.083300     -0.9766000      -2.274000    
 O    2.924600       1.859700     -7.0000002E-03
 O   -1.450700      -3.344300      0.4179000    
 O   -1.511800       1.975700     -0.1277000    
 O    3.185100       3.110500       1.908100    
 N    3.171100      -1.305900       1.316400    
 N   0.9313000      -1.890900     -0.4085000    
 N   -3.804500      0.8319000      0.7529000    
 N    4.817200       3.061800      0.2891000    
 C    3.125200      -1.102900     -0.1295000    
 C    1.852700     -0.8287000     -0.8726000    
 C    3.006100      -2.471300      0.4653000    
 C    1.625300      -3.008600      0.2180000    
 C    1.060400      0.4939000     -0.6125000    
 C  -0.2958000      -1.358700     -9.3000002E-02
 C  -0.3039000     -3.1800002E-02 -0.2122000    
 C    1.652700       1.425600      0.4395000    
 C   -1.472100      -2.121400      0.3317000    
 C   -1.509300      0.7601000      3.9000001E-02
 C    2.835900      0.1100000      -2.789500    
 C   -2.705400      -1.323600      0.6410000    
 C   -2.731600      2.0099999E-02  0.5043000    
 C   -3.873700      -2.156500       1.097700    
 C    3.603100       2.711600      0.8262000    
 C   -5.070600      0.6920000      8.5699998E-02
 C   -5.425100       1.928600     -0.6151000    
 C   -5.719400       2.940000      -1.191300    
 H    4.057600     -0.8260000     -0.5940000    
 H    3.819600      -3.175000      0.4041000    
 H    2.282900      -1.066700       1.753600    
 H    1.659200      -3.858600     -0.4704000    
 H    1.156800      -3.321300       1.156900    
 H   0.9113000       1.067900      -1.532400    
 H    1.725800      0.9510000       1.422900    
 H    1.009800       2.307100      0.5534000    
 H    3.581900      0.5247000      -2.109300    
 H    2.173800      0.9025000      -3.149200    
 H    3.372900     -0.2597000      -3.669300    
 H   -4.291900      -2.716900      0.2554000    
 H   -4.673600      -1.561700       1.546000    
 H   -3.559800      -2.870400       1.867500    
 H   -3.560000       1.776000       1.043100    
 H   -5.062700     -0.1344000     -0.6353000    
 H   -5.841100      0.4619000      0.8295000    
 H    5.119000       2.704000     -0.6109000    
 H    5.449700       3.687900      0.7758000    
 H   -5.980000       3.837200      -1.702300    


%chk=000073500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073500

0 1
O 2.344424 -1.075591 -2.154134
O 3.024322 2.033120 -0.108501
O -1.403754 -3.336261 0.397744
O -1.510458 2.137036 -0.325857
O 3.234535 3.350808 1.837594
N 2.862375 -1.445053 1.644115
N 0.966352 -1.843282 -0.404058
N -3.773896 0.956945 0.162173
N 4.889016 3.312218 0.170718
C 3.139268 -1.140066 0.183528
C 1.968029 -0.794314 -0.752213
C 2.932197 -2.580492 0.643346
C 1.603153 -3.093626 0.061655
C 1.176333 0.565267 -0.637681
C -0.265465 -1.292005 -0.171044
C -0.240054 0.093042 -0.323088
C 1.698950 1.575700 0.391051
C -1.497955 -2.066335 0.203773
C -1.434667 0.856397 -0.201174
C 3.456669 -0.265603 -2.678395
C -2.742276 -1.318171 0.334076
C -2.731449 0.071562 0.119971
C -3.964928 -2.145961 0.702668
C 3.687265 2.948330 0.740342
C -5.207024 0.723727 0.414813
C -6.018113 1.860764 -0.055641
C -6.707985 2.810026 -0.428389
H 4.117813 -0.703088 -0.016842
H 3.755147 -3.285066 0.780398
H 1.881345 -1.236102 1.920460
H 1.792098 -3.772668 -0.789502
H 0.943872 -3.603881 0.781612
H 1.201880 1.051344 -1.631065
H 1.826341 1.143431 1.398496
H 1.014883 2.438682 0.455210
H 4.434697 -0.629688 -2.307469
H 3.343162 0.804570 -2.418607
H 3.414089 -0.393419 -3.771269
H -4.637620 -2.314660 -0.159912
H -4.552877 -1.700862 1.523270
H -3.618578 -3.139582 1.031474
H -3.462245 1.931966 -0.001635
H -5.534058 -0.197200 -0.097284
H -5.394692 0.577058 1.498732
H 5.167571 2.951053 -0.737780
H 5.480249 3.970732 0.669645
H -7.306642 3.638995 -0.760324


