%chk=000003010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003010

0 1
 O   -6.423600       2.545500     -0.9026000    
 N   -1.333700      0.8546000      0.1335000    
 N   -4.884500      -2.525800     -0.1457000    
 C    4.874000     -0.3879000     -2.3000000E-02
 C    3.658600      0.5414000      2.3200000E-02
 C    6.210400      0.3572000      6.2600002E-02
 C    2.323400     -0.2044000     -7.4600004E-02
 C    7.466300     -0.5177000     -6.9999998E-04
 C    1.105400      0.7174000      5.1399998E-02
 C    8.769300      0.2833000      3.2600001E-02
 C  -0.2152000     -4.8400000E-02  6.6999998E-03
 C    9.985000     -0.6309000     -0.1241000    
 C   -2.658100      0.4459000      0.1225000    
 C   -5.341000     -0.3562000      0.1032000    
 C   -4.304300      -1.283300     -2.4599999E-02
 C   -5.017400       1.007800      0.2440000    
 C   -2.954900     -0.9127000     -1.8400000E-02
 C   -3.671900       1.393100      0.2516000    
 C    11.28510      0.1549000     -5.9500001E-02
 C   -6.561800      -1.085700      5.4499999E-02
 C   -6.062600       2.068500      0.3862000    
 C   -6.248500      -2.416600     -9.8899998E-02
 H    4.812600      -1.107600      0.8024000    
 H    4.848100     -0.9692000     -0.9529000    
 H    3.683300       1.114800      0.9581000    
 H    3.724700       1.267800     -0.7961000    
 H    6.232600      0.9350000      0.9953000    
 H    6.253000       1.088800     -0.7545000    
 H    2.277300     -0.7389000      -1.031200    
 H    2.280300     -0.9637000      0.7160000    
 H    7.432300      -1.114200     -0.9209000    
 H    7.451800      -1.226700      0.8361000    
 H    1.127600       1.461300     -0.7550000    
 H    1.169300       1.277500      0.9931000    
 H    8.764800       1.026800     -0.7736000    
 H    8.835400      0.8331000      0.9792000    
 H  -0.2260000     -0.7797000      0.8240000    
 H  -0.2735000     -0.5918000     -0.9441000    
 H    9.984900      -1.389400      0.6674000    
 H    9.931700      -1.161200      -1.082000    
 H   -1.148200       1.846200      0.2384000    
 H   -2.194900      -1.679200     -0.1213000    
 H   -3.415700       2.446000      0.3576000    
 H    11.38470      0.6704000      0.9011000    
 H    12.14070     -0.5179000     -0.1743000    
 H    11.33130      0.9027000     -0.8575000    
 H   -7.564000     -0.6854000      0.1226000    
 H   -4.376300      -3.392800     -0.2536000    
 H   -6.957900       1.675000      0.8788000    
 H   -5.696800       2.908300      0.9872000    
 H   -6.874000      -3.294400     -0.1793000    
 H   -7.103700       3.228500     -0.7738000    


%chk=000003010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003010

0 1
O -7.003676 2.200957 -0.738401
N -1.334117 0.827690 0.144104
N -5.018970 -2.516903 -0.224946
C 4.949031 -0.363898 -0.023328
C 3.708046 0.555519 0.024921
C 6.285279 0.412147 -0.001700
C 2.371935 -0.220187 -0.003299
C 7.527574 -0.506343 -0.038092
C 1.136222 0.703168 0.070524
C 8.864000 0.269510 -0.017127
C -0.192465 -0.076214 0.018397
C 10.106438 -0.649730 -0.049729
C -2.669521 0.411410 0.110312
C -5.440177 -0.293209 0.053299
C -4.396804 -1.272545 -0.077451
C -5.070054 1.073505 0.226280
C -3.019709 -0.954228 -0.049067
C -3.705716 1.400986 0.249122
C 11.437074 0.133340 -0.027446
C -6.704803 -0.995044 -0.030094
C -6.116397 2.139732 0.448000
C -6.417659 -2.347344 -0.197142
H 4.919227 -1.065100 0.836930
H 4.905309 -0.992215 -0.937651
H 3.750775 1.178861 0.942655
H 3.741107 1.260593 -0.831870
H 6.325758 1.046366 0.908756
H 6.318884 1.108126 -0.866048
H 2.322683 -0.829674 -0.929488
H 2.346965 -0.935970 0.844358
H 7.487472 -1.141579 -0.947901
H 7.494587 -1.201553 0.827028
H 1.167774 1.428575 -0.768422
H 1.175690 1.293322 1.009692
H 8.900085 0.963051 -0.883475
H 8.904894 0.906548 0.891434
H -0.206309 -0.832516 0.835575
H -0.248841 -0.642338 -0.938879
H 10.068976 -1.342733 0.815667
H 10.064934 -1.285400 -0.957944
H -1.144521 1.823946 0.239692
H -2.252908 -1.727883 -0.150198
H -3.409595 2.451663 0.373799
H 11.517318 0.751859 0.886572
H 12.308958 -0.546080 -0.053282
H 11.511499 0.812298 -0.898017
H -7.695581 -0.547101 -0.008701
H -4.535904 -3.403752 -0.344797
H -6.717835 1.889740 1.350096
H -5.624008 3.120734 0.614000
H -7.087018 -3.198226 -0.310337
H -7.770506 2.794222 -0.529283


