%chk=000046138.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046138

0 1
 O    2.215000     -0.6354000     -0.1685000    
 O   -5.474200     -0.3762000      0.6467000    
 O   0.8392000       1.134000      0.2863000    
 N    5.779100      0.2809000     -0.3794000    
 N   1.0700000E-02  -1.034100     -1.9900000E-02
 C    6.175900      0.5815000       1.003400    
 C    6.880200     -0.3462000      -1.123700    
 C    7.383600       1.519200       1.039400    
 C    8.111000      0.5614000      -1.157400    
 C    8.554700      0.9460000      0.2493000    
 C    4.595300     -0.5780000     -0.3967000    
 C    3.338900      0.2340000     -0.1253000    
 C   0.9874000     -6.0300000E-02  5.7500001E-02
 C   -1.384700     -0.8824000      0.1468000    
 C   -7.463700      0.6921000     -0.1634000    
 C   -2.241600      -1.977500      3.6100000E-02
 C   -6.021200      0.8896000      0.2801000    
 C   -8.108500       2.008900     -0.5867000    
 C   -4.133200     -0.5424000      0.4826000    
 C   -3.615800      -1.807500      0.2041000    
 C   -1.901900      0.3828000      0.4258000    
 C   -3.276200      0.5528000      0.5935000    
 C   -1.715100      -3.344100     -0.2609000    
 C   -9.534900       1.800800      -1.069700    
 H    6.414700     -0.3404000       1.550300    
 H    5.366000       1.078700       1.546800    
 H    6.572200     -0.5335000      -2.159700    
 H    7.147300      -1.315200     -0.6817000    
 H    7.103900       2.495100      0.6225000    
 H    7.688500       1.691000       2.077900    
 H    8.931100      5.3900000E-02  -1.677800    
 H    7.882300       1.469600      -1.729600    
 H    9.369500       1.676700      0.2006000    
 H    8.945700      6.0300000E-02  0.7650000    
 H    4.679200      -1.418700      0.3048000    
 H    4.468700      -1.038200      -1.386400    
 H    3.371200      0.7043000      0.8626000    
 H    3.221900       1.014500     -0.8873000    
 H   -7.492100     -2.7500000E-02 -0.9914000    
 H   -8.036500      0.2328000      0.6519000    
 H   0.3458000      -1.971600     -0.2217000    
 H   -5.470100       1.339000     -0.5563000    
 H   -5.981500       1.560200       1.146300    
 H   -8.111000       2.709900      0.2560000    
 H   -7.523100       2.470100      -1.390600    
 H   -4.293500      -2.653600      0.1200000    
 H   -1.306100       1.277800      0.5340000    
 H   -3.636100       1.548200      0.8372000    
 H   -1.200700      -3.356800      -1.227600    
 H   -1.026200      -3.670400      0.5253000    
 H   -2.519000      -4.086600     -0.3138000    
 H   -10.15720       1.368300     -0.2797000    
 H   -9.978000       2.756700      -1.366100    
 H   -9.562500       1.130800      -1.934900    


%chk=000046138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046138

0 1
O 2.314329 -0.620498 -0.305652
O -5.558224 -0.405099 -0.193892
O 0.944275 1.297066 -0.218410
N 5.978736 0.123610 -0.192713
N 0.077271 -0.914683 -0.283047
C 6.296020 0.640259 1.164420
C 7.135971 -0.598763 -0.781078
C 7.501229 1.601445 1.125622
C 8.366644 0.324564 -0.885503
C 8.732797 0.909993 0.497603
C 4.725381 -0.665985 -0.227174
C 3.508502 0.264000 -0.319055
C 1.070026 0.047334 -0.264347
C -1.334913 -0.717743 -0.256040
C -7.728070 0.659027 -0.157485
C -2.167073 -1.883242 -0.278003
C -6.219023 0.911843 -0.160261
C -8.540521 1.974610 -0.135648
C -4.152533 -0.426553 -0.211071
C -3.564487 -1.714259 -0.254774
C -1.919972 0.569712 -0.210688
C -3.323386 0.719165 -0.188390
C -1.564660 -3.277995 -0.325966
C -10.064119 1.725525 -0.137025
H 6.522149 -0.206771 1.867151
H 5.410112 1.166524 1.564233
H 6.846345 -0.958053 -1.786185
H 7.407953 -1.500136 -0.168350
H 7.227742 2.490696 0.525680
H 7.728363 1.946069 2.152935
H 9.217681 -0.244267 -1.307439
H 8.131956 1.149077 -1.586238
H 9.573472 1.623512 0.406289
H 9.074454 0.091044 1.164679
H 4.613259 -1.334973 0.660868
H 4.736964 -1.315384 -1.121634
H 3.443667 0.966919 0.530151
H 3.525004 0.848278 -1.255247
H -7.993237 0.066724 -1.054431
H -7.986890 0.040657 0.723529
H 0.419408 -1.876081 -0.321623
H -5.916736 1.503282 -1.050646
H -5.905893 1.463393 0.751751
H -8.264451 2.566250 0.761192
H -8.267332 2.593331 -1.014928
H -4.226749 -2.586040 -0.271124
H -1.272207 1.448740 -0.192933
H -3.744963 1.727627 -0.153585
H -0.950584 -3.435260 -1.235673
H -0.922547 -3.484387 0.553991
H -2.356415 -4.044451 -0.334896
H -10.369883 1.134497 0.746529
H -10.627354 2.676346 -0.119841
H -10.373084 1.164807 -1.039031


