%chk=000055908.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055908

0 1
 O    3.363600       1.927400       1.763600    
 O  -0.8563000      0.8504000     -0.1715000    
 O  -0.6086000      -1.345300      0.5711000    
 N   -6.943400     -0.4853000      0.6333000    
 N   -7.173600     -6.6999998E-03  -1.718100    
 N   -9.023200     -0.2819000     -0.4100000    
 C    6.963400      3.0300001E-02 -0.3994000    
 C    5.447000     -6.7500003E-02 -0.2226000    
 C    7.659000      -1.258400      4.2300001E-02
 C    4.755400       1.234300     -0.6332000    
 C    9.176700      -1.149100     -0.1026000    
 C    3.257600       1.136300     -0.4964000    
 C    2.640300       1.488200      0.6957000    
 C    9.873600      -2.415800      0.3675000    
 C    2.515800      0.6901000      -1.581400    
 C    1.253200       1.391700      0.8053000    
 C    1.128700      0.5937000      -1.471800    
 C   0.4973000      0.9444000     -0.2783000    
 C   -1.312400     -0.3877000      0.2872000    
 C   -2.794200     -0.4130000      0.3769000    
 C   -3.453900      -1.608400      0.1772000    
 C   -3.465700      0.7590000      0.6591000    
 C   -5.547800     -0.4614000      0.5479000    
 C   -4.845900      -1.632900      0.2637000    
 C   -4.857700      0.7345000      0.7456000    
 C   -7.648900     -0.2672000     -0.4510000    
 H    7.199900      0.2348000      -1.450600    
 H    7.346300      0.8732000      0.1888000    
 H    5.214300     -0.3018000      0.8236000    
 H    5.063200     -0.9014000     -0.8240000    
 H    7.290900      -2.100000     -0.5569000    
 H    7.405800      -1.471400       1.088100    
 H    4.999700       1.454900      -1.681700    
 H    5.153600       2.091500     -7.7299997E-02
 H    9.437800     -0.9608000      -1.150500    
 H    9.546900     -0.2988000      0.4819000    
 H    9.659500      -2.613000       1.422800    
 H    9.548600      -3.282300     -0.2172000    
 H    10.95770      -2.316500      0.2538000    
 H    2.996500      0.4119000      -2.515100    
 H   0.7610000       1.665800       1.735200    
 H   0.5456000      0.2446000      -2.319700    
 H    4.296700       1.679600       1.675100    
 H   -2.918700      -2.526200     -4.7699999E-02
 H   -2.950200       1.699100      0.8304000    
 H   -5.374800      -2.569500      0.1074000    
 H   -5.395600       1.651800      0.9706000    
 H   -6.181700      3.9600000E-02  -1.923400    
 H   -7.809200      0.1485000      -2.493200    
 H   -9.580200     -0.1153000      -1.240900    
 H   -9.519400     -0.4610000      0.4562000    


%chk=000055908-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055908

0 1
O 3.160517 1.992198 0.561074
O -0.846326 -0.184135 -0.758672
O -1.408818 -1.810352 -2.376299
N -7.151743 -0.627922 0.454657
N -7.450935 1.770791 0.428615
N -9.005819 0.348174 1.478405
C 7.174996 0.018320 -0.305209
C 5.650293 -0.211605 -0.218938
C 7.960692 -0.701358 0.814065
C 4.864347 0.503367 -1.356743
C 9.487976 -0.477739 0.729795
C 3.358309 0.315095 -1.258874
C 2.585298 1.040461 -0.306319
C 10.263873 -1.199636 1.852631
C 2.666992 -0.608882 -2.075965
C 1.198188 0.844916 -0.178891
C 1.275989 -0.835239 -1.976453
C 0.551889 -0.093091 -1.011371
C -1.748090 -1.036657 -1.447632
C -3.120966 -0.876360 -0.919891
C -4.158989 -1.655530 -1.505730
C -3.444571 0.003438 0.149011
C -5.822849 -0.647363 0.004969
C -5.479792 -1.548786 -1.049832
C -4.768391 0.119740 0.603457
C -7.813172 0.469476 0.774133
H 7.542750 -0.330399 -1.293089
H 7.391249 1.107306 -0.261269
H 5.280212 0.121021 0.772974
H 5.434200 -1.296676 -0.271855
H 7.748126 -1.789904 0.770160
H 7.594573 -0.354083 1.803026
H 5.218023 0.108562 -2.327521
H 5.137134 1.583011 -1.363679
H 9.853233 -0.826705 -0.257765
H 9.700219 0.610299 0.772754
H 9.938134 -0.846486 2.849363
H 10.093319 -2.292137 1.812976
H 11.352399 -1.024403 1.771131
H 3.236723 -1.176464 -2.821879
H 0.629557 1.415401 0.559239
H 0.771137 -1.553598 -2.620672
H 4.129411 2.080124 0.382759
H -3.899688 -2.340954 -2.319588
H -2.645726 0.584050 0.618560
H -6.279651 -2.154127 -1.487121
H -4.996051 0.773278 1.453577
H -6.620578 1.911389 -0.142384
H -7.900536 2.584424 0.840100
H -9.721559 1.070234 1.447584
H -9.271309 -0.597487 1.744428


