%chk=000059203.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059203

0 1
 O   -9.183800       1.517000      0.6594000    
 O   -3.414900     -0.7067000      -1.220500    
 O    6.755500     -0.1861000      0.2532000    
 O    4.106000      -1.039700      0.5902000    
 O    2.736400      -2.672500     -0.2397000    
 N   -6.618200      0.3500000      0.2630000    
 N    1.951200     -0.5072000      0.2028000    
 C   -7.097600       1.456100     -0.5772000    
 C   -7.756100     -0.4427000      0.7493000    
 C   -5.677000     -0.4909000     -0.4735000    
 C   -8.086600       2.312200      0.2088000    
 C   -8.730400      0.4580000       1.503300    
 C   -4.299400      0.1510000     -0.5113000    
 C   -2.091500     -0.6580000     -0.8675000    
 C    8.187500       1.665200     -0.2512000    
 C    9.422800       2.456900      0.1683000    
 C    7.903800      0.5169000      0.7067000    
 C   -1.291800      -1.792900      -1.001600    
 C   -1.543900      0.5272000     -0.3762000    
 C   0.6033000     -0.5576000     -0.1532000    
 C   5.5599999E-02  -1.742700     -0.6446000    
 C  -0.1966000      0.5772000     -1.9099999E-02
 C    9.727600       3.576000     -0.8146000    
 C    6.438800      -1.275500       1.111300    
 C    5.195000      -1.970000      0.5908000    
 C    2.904300      -1.521100      0.1434000    
 H   -6.272800       2.099800     -0.8987000    
 H   -7.593100       1.065400      -1.475800    
 H   -7.410900      -1.232000       1.426900    
 H   -8.274100     -0.9187000     -9.3500003E-02
 H   -5.562200      -1.463300      2.5300000E-02
 H   -6.029200     -0.7256000      -1.486800    
 H   -8.490100       3.100900     -0.4342000    
 H   -7.608300       2.797400       1.068400    
 H   -8.274600      0.8799000       2.407300    
 H   -9.607500     -0.1191000       1.813200    
 H   -4.323800       1.115600      -1.028700    
 H   -3.968400      0.3038000      0.5251000    
 H    7.311700       2.324400     -0.3001000    
 H    8.318800       1.266100      -1.265000    
 H    10.29020       1.789400      0.2305000    
 H    9.269900       2.884200       1.166100    
 H    7.722300      0.9064000       1.715300    
 H    8.761300     -0.1655000      0.7401000    
 H   -1.714300      -2.718100      -1.384200    
 H   -2.123800       1.440500     -0.2825000    
 H   0.6121000      -2.660300     -0.7764000    
 H   0.2191000       1.508800      0.3566000    
 H    8.891700       4.279900     -0.8790000    
 H    10.61500       4.130800     -0.4940000    
 H    9.919600       3.177400      -1.815900    
 H    7.275900      -1.981500       1.141000    
 H    6.251200     -0.8904000       2.120300    
 H    5.363100      -2.311100     -0.4372000    
 H    4.948100      -2.824200       1.230500    
 H    2.284200      0.3881000      0.5526000    


%chk=000059203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059203

0 1
O -9.287604 2.038244 0.010992
O -3.600223 -1.275785 -0.277845
O 6.999964 -0.087031 -0.101684
O 4.243153 -1.131135 0.305335
O 2.868365 -2.825418 -0.594048
N -6.892002 0.409468 0.204890
N 2.015654 -0.789131 0.282683
C -7.083556 1.370180 -0.913699
C -8.206795 -0.096376 0.677774
C -5.922200 -0.665148 -0.111885
C -7.982352 2.531547 -0.458897
C -9.087828 1.085071 1.116038
C -4.488743 -0.188353 0.159857
C -2.216169 -1.091769 -0.111492
C 8.413411 1.870339 -0.305984
C 9.584569 2.704876 0.262841
C 8.129816 0.614536 0.522634
C -1.396044 -2.162400 -0.543508
C -1.619825 0.066105 0.444995
C 0.607115 -0.932881 0.131454
C 0.003006 -2.092806 -0.427524
C -0.215540 0.136728 0.562078
C 9.868517 3.969560 -0.575904
C 6.641943 -1.315657 0.606685
C 5.432555 -1.930328 -0.075141
C 3.002283 -1.695102 -0.059777
H -6.102762 1.770830 -1.231124
H -7.551117 0.870000 -1.799032
H -8.044255 -0.771610 1.538768
H -8.740983 -0.671834 -0.119367
H -6.127305 -1.538554 0.533141
H -5.997580 -1.015658 -1.168211
H -8.208829 3.212532 -1.295890
H -7.478114 3.093757 0.356646
H -8.610056 1.603404 1.975371
H -10.097992 0.746442 1.399605
H -4.257735 0.737506 -0.406656
H -4.354127 0.013614 1.240755
H 7.493585 2.485435 -0.342555
H 8.636264 1.567208 -1.347288
H 10.498967 2.078256 0.306931
H 9.356252 2.998669 1.307940
H 7.874363 0.884937 1.572981
H 9.024192 -0.050770 0.548769
H -1.874956 -3.048312 -0.971778
H -2.225135 0.909164 0.789568
H 0.632127 -2.919594 -0.763373
H 0.239416 1.036729 0.994880
H 8.980715 4.628494 -0.611156
H 10.707480 4.553278 -0.154972
H 10.129202 3.703269 -1.617354
H 7.486443 -2.041532 0.565674
H 6.413316 -1.106709 1.674754
H 5.550001 -1.904392 -1.173183
H 5.278648 -2.976841 0.244864
H 2.359604 0.084046 0.687924


