%chk=000128012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128012

0 1
 O    2.296600       1.320200      0.5897000    
 O    3.177400       3.939300      0.8993000    
 O   1.0000000E-03  0.6306000       1.765700    
 O    5.079900      -2.357300     -0.5831000    
 O    2.969100      -4.106600     -0.1243000    
 N  -0.1355000       3.523200     -0.7013000    
 C    2.282300       3.600000     -0.1636000    
 C   0.8529000       3.877400      0.3084000    
 C    2.518800       2.142200     -0.5519000    
 C   -1.487600       3.743600     -0.2064000    
 C    1.391500     -0.9006000      0.6470000    
 C   -1.187500      -1.167100      0.6863000    
 C    2.451500     -2.9100001E-02  0.4158000    
 C   -2.417900     -0.2646000      0.5684000    
 C   -2.511000       3.357500      -1.271400    
 C   9.1399997E-02 -0.4061000       1.078600    
 C   -3.649100      -1.047700      0.1920000    
 C    3.688300     -0.5163000      3.4000000E-03
 C    1.569800      -2.271900      0.4641000    
 C    3.866600      -1.887600     -0.1794000    
 C    2.807300      -2.765400      5.0799999E-02
 C   -3.932400       3.598700     -0.7868000    
 C   -3.962900      -1.222400      -1.148000    
 C   -4.450000      -1.581600       1.190900    
 C   -5.102600      -1.947200      -1.496600    
 C   -5.589800      -2.306300      0.8422000    
 C   -5.916000      -2.489100     -0.5016000    
 C    5.298000      -2.465500      -1.988400    
 H    2.525600       4.240400      -1.019800    
 H   0.7676000       4.941400      0.5652000    
 H   0.6672000       3.329200       1.240800    
 H    3.560400       2.044000     -0.8788000    
 H    1.863200       1.833900      -1.374400    
 H   2.1500001E-02   4.072400      -1.545800    
 H   -1.624500       4.797400      6.5600000E-02
 H   -1.662100       3.139200      0.6921000    
 H   -1.023000      -1.663500     -0.2778000    
 H   -1.355300      -1.941400       1.444500    
 H   -2.230300      0.5167000     -0.1755000    
 H   -2.594400      0.2679000       1.511700    
 H   -2.345300       3.950500      -2.179500    
 H   -2.395400       2.305900      -1.554600    
 H   0.7606000      -2.972000      0.6547000    
 H    4.527600      0.1543000     -0.1600000    
 H    3.046500       4.881200       1.102800    
 H   -4.649900       3.323600      -1.566200    
 H   -4.089500       4.652800     -0.5367000    
 H   -4.150000       2.997200      0.1018000    
 H   -3.334900     -0.8052000      -1.930200    
 H   -4.203400      -1.446200       2.240100    
 H   -5.356500      -2.089800      -2.542900    
 H   -6.222900      -2.728700       1.617000    
 H   -6.803300      -3.053500     -0.7730000    
 H    2.131300      -4.557300      7.8299999E-02
 H    6.304900      -2.860200      -2.149600    
 H    4.575900      -3.153700      -2.439000    
 H    5.227200      -1.482000      -2.464000    


%chk=000128012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128012

0 1
O 1.579732 1.582015 0.611035
O 2.214501 3.556882 2.764636
O -1.081399 1.056481 0.557104
O 4.549176 -1.615879 -1.402273
O 2.362321 -3.599316 -1.484784
N 0.695823 4.587278 -0.551325
C 2.146498 3.821464 1.316148
C 0.713687 4.199011 0.869568
C 2.669522 2.574210 0.603275
C -0.546658 4.281280 -1.297717
C 0.650331 -0.547206 -0.032627
C -1.780080 -1.270471 0.530918
C 1.779424 0.343735 0.032584
C -3.112547 -0.759152 1.131242
C -0.359012 4.528875 -2.807696
C -0.730601 -0.149852 0.368224
C -4.133175 -1.880504 1.256720
C 3.036878 -0.073980 -0.459749
C 0.893460 -1.853485 -0.544239
C 3.242299 -1.366307 -0.991614
C 2.146825 -2.282147 -1.009103
C -1.643444 4.237879 -3.613526
C -5.128540 -2.077658 0.264801
C -4.093207 -2.778347 2.356168
C -6.054777 -3.141443 0.363763
C -5.016093 -3.842956 2.460857
C -6.000784 -4.030025 1.462348
C 4.864334 -2.707902 -2.347106
H 2.840854 4.657340 1.073994
H 0.335904 5.001109 1.555507
H 0.068978 3.312326 0.998433
H 3.551512 2.184556 1.147729
H 2.927879 2.821852 -0.443771
H 1.012193 5.553174 -0.708217
H -1.426551 4.873988 -0.940253
H -0.785838 3.216673 -1.117341
H -1.983483 -1.726267 -0.460419
H -1.367047 -2.080885 1.163196
H -3.497490 0.056442 0.494525
H -2.902862 -0.306740 2.118072
H -0.049776 5.582601 -2.974297
H 0.473825 3.894469 -3.166471
H 0.060589 -2.565390 -0.587584
H 3.904546 0.589083 -0.443998
H 1.464962 4.022690 3.214310
H -1.487846 4.410981 -4.693996
H -2.477570 4.885745 -3.283452
H -1.962735 3.187167 -3.480886
H -5.182123 -1.386985 -0.586316
H -3.339764 -2.633512 3.141288
H -6.819749 -3.273068 -0.410308
H -4.972970 -4.520910 3.321201
H -6.720256 -4.852672 1.543446
H 1.530713 -4.128083 -1.403573
H 5.920645 -2.539976 -2.606788
H 4.726310 -3.692571 -1.875800
H 4.231556 -2.640818 -3.249263


