%chk=000061122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061122

0 1
 O    3.276200       1.546200      0.5252000    
 O    2.720500       2.092500      -1.649500    
 O   -5.140500     -7.8100003E-02  0.2577000    
 O   -7.814800     -0.4050000     -0.4977000    
 N   -1.557900      0.3177000     -0.5129000    
 C    1.421900      0.4555000     -0.4254000    
 C   0.5845000      0.4188000      -1.731800    
 C   0.4953000       1.039100      0.6749000    
 C  -0.7461000     -0.3187000      -1.555900    
 C  -0.8573000      0.3216000      0.7760000    
 C    2.074100     -0.8985000     -0.1090000    
 C    2.535700       1.463100     -0.6166000    
 C   -2.854300     -0.3482000     -0.3918000    
 C    1.795900      -1.542000       1.097000    
 C    2.945100      -1.484600      -1.027400    
 C   -3.896100      0.6038000      0.1735000    
 C    2.388600      -2.771600       1.384200    
 C    3.537700      -2.714300     -0.7401000    
 C    3.259500      -3.357600      0.4657000    
 C    4.370100       2.468000      0.4830000    
 C   -6.160800      0.7612000      0.7811000    
 C    5.087200       2.443600       1.815900    
 C   -7.464500     -1.2500000E-02  0.8238000    
 H   0.3571000       1.442200      -2.065000    
 H    1.140800     -4.1900001E-02  -2.557100    
 H   0.2966000       2.098600      0.4514000    
 H   0.9813000       1.048200       1.658800    
 H   -1.277600     -0.2777000      -2.514800    
 H  -0.5681000      -1.377700      -1.329300    
 H  -0.7515000     -0.7003000       1.151000    
 H   -1.447200      0.8638000       1.523900    
 H   -2.799800      -1.271500      0.2001000    
 H   -3.219900     -0.6634000      -1.379100    
 H    1.167500      -1.119900       1.870300    
 H    3.183000     -0.9985000      -1.969500    
 H   -3.617100      0.9477000       1.175200    
 H   -4.003100       1.478500     -0.4800000    
 H    2.181000      -3.268300       2.327600    
 H    4.217700      -3.169600      -1.454100    
 H    3.723300      -4.313600      0.6908000    
 H    3.990200       3.476400      0.2851000    
 H    5.061900       2.176500     -0.3151000    
 H   -6.271900       1.635700      0.1295000    
 H   -5.891100       1.091600       1.790100    
 H    4.402800       2.715100       2.626400    
 H    5.456500       1.436500       2.036000    
 H    5.931700       3.138400       1.818700    
 H   -7.354900     -0.9206000       1.424800    
 H   -8.269000      0.6040000       1.235000    
 H   -8.651200     -0.8973000     -0.4363000    


%chk=000061122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000061122

0 1
O 3.187963 1.744208 0.601093
O 3.151660 1.631694 -1.720242
O -5.203016 -0.010864 0.399825
O -7.819674 -0.466757 -0.534488
N -1.566181 0.265238 -0.435705
C 1.422396 0.406105 -0.409852
C 0.562685 0.449536 -1.710513
C 0.529059 0.943895 0.746066
C -0.763308 -0.313630 -1.544598
C -0.816308 0.195914 0.844975
C 2.020993 -1.007080 -0.149106
C 2.651458 1.321165 -0.613585
C -2.923351 -0.321666 -0.334065
C 2.009555 -1.618418 1.130495
C 2.668162 -1.696363 -1.210168
C -3.920821 0.689770 0.249091
C 2.599368 -2.885727 1.337968
C 3.260788 -2.960980 -1.006274
C 3.224389 -3.567239 0.270196
C 4.443113 2.555301 0.517802
C -6.290043 0.862869 0.869825
C 4.828614 2.916376 1.948252
C -7.553850 0.002044 0.827945
H 0.335275 1.506539 -1.941556
H 1.124578 0.049337 -2.569993
H 0.313108 2.009286 0.542499
H 1.061631 0.907595 1.710890
H -1.348562 -0.226186 -2.478444
H -0.555863 -1.402029 -1.380889
H -0.647314 -0.869010 1.144776
H -1.423762 0.663291 1.641762
H -2.945053 -1.250367 0.285924
H -3.268063 -0.601859 -1.346115
H 1.547890 -1.109753 1.981731
H 2.731010 -1.234050 -2.201256
H -3.581673 1.065745 1.238529
H -4.026506 1.557566 -0.435254
H 2.571942 -3.338197 2.335869
H 3.755361 -3.468854 -1.842006
H 3.681512 -4.549938 0.431103
H 4.241892 3.443609 -0.107801
H 5.212127 1.944520 0.010940
H -6.391053 1.735962 0.189731
H -6.082592 1.226349 1.900435
H 4.036147 3.512666 2.432203
H 4.999319 2.007957 2.550794
H 5.759601 3.512273 1.945835
H -7.438166 -0.853280 1.526541
H -8.435787 0.593675 1.125779
H -6.961647 -0.835340 -0.872663


