%chk=000077729.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077729

0 1
 O   -5.148800     -4.3200001E-02  0.8184000    
 O   -4.628000       2.951100     -0.5961000    
 O   -3.690900      -3.006700       1.389700    
 O   -3.769900       2.951100       1.424400    
 O   -4.549800      -3.006400     -0.6305000    
 N   -3.920200       2.426400      0.2957000    
 N   -3.855700      -2.473400      0.2672000    
 C    3.704800      0.1003000      7.4199997E-02
 C    5.104700      6.0600001E-02 -0.5428000    
 C    2.581400      8.1500001E-02 -0.9673000    
 C    6.187800      5.7700001E-02  0.5397000    
 C    1.180400      4.6200000E-02 -0.3468000    
 C    7.586300     -2.0900000E-02 -7.7000000E-02
 C   6.3000001E-02  3.8400002E-02  -1.397100    
 C    8.709200      3.8000001E-03  0.9621000    
 C   -1.325100      1.6600000E-02 -0.8080000    
 C   -1.951000      -1.201200     -0.5423000    
 C   -1.982700       1.214400     -0.5277000    
 C    10.09770     -0.1460000      0.3594000    
 C   -3.266200       1.194400      1.7899999E-02
 C   -3.234600      -1.221300      3.5000001E-03
 C   -3.892200     -2.3399999E-02  0.2835000    
 H    3.604800       1.000500      0.6933000    
 H    3.583400     -0.7598000      0.7445000    
 H    5.240400      0.9276000      -1.200500    
 H    5.203500     -0.8370000      -1.165000    
 H    2.671900      0.9666000      -1.608800    
 H    2.706500     -0.7945000      -1.615600    
 H    6.104500      0.9675000       1.146300    
 H    6.037500     -0.7953000       1.212200    
 H    1.056600      0.9152000      0.3120000    
 H    1.089400     -0.8424000      0.2905000    
 H    7.725600      0.8160000     -0.7725000    
 H    7.666200     -0.9410000     -0.6694000    
 H   0.1865000     -0.8287000      -2.059100    
 H   0.1630000      0.9175000      -2.047300    
 H    8.663900      0.9447000       1.523100    
 H    8.551800     -0.8051000       1.685600    
 H   -1.434900      -2.134100     -0.7598000    
 H   -1.491200       2.163000     -0.7340000    
 H    10.19080      -1.096900     -0.1746000    
 H    10.85870     -0.1199000       1.145500    
 H    10.30620      0.6655000     -0.3451000    
 H   -5.480600      0.8576000      0.9604000    


%chk=000077729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077729

0 1
O -5.191700 -0.111374 0.949584
O -5.313719 2.405414 0.716053
O -2.775501 -3.430301 0.723496
O -3.628345 3.584726 -0.261529
O -4.940004 -2.771391 0.417159
N -4.129967 2.471297 0.124533
N -3.676715 -2.542063 0.444416
C 3.687043 -0.042844 0.057977
C 5.113524 0.052611 -0.528961
C 2.577642 0.118306 -1.005640
C 6.221748 -0.113042 0.535279
C 1.156173 0.050110 -0.405903
C 7.649882 -0.004467 -0.045088
C 0.044757 0.204106 -1.482864
C 8.757063 -0.169116 1.021132
C -1.350892 0.142337 -0.889020
C -1.908043 -1.099041 -0.480596
C -2.119608 1.301230 -0.684842
C 10.180825 -0.055918 0.434539
C -3.396763 1.226894 -0.080076
C -3.185961 -1.185626 0.095392
C -3.983515 -0.022940 0.333636
H 3.561329 0.734761 0.840009
H 3.565803 -1.020406 0.569388
H 5.236608 1.032541 -1.036008
H 5.241022 -0.721785 -1.314078
H 2.709555 1.088172 -1.529287
H 2.691190 -0.670999 -1.777900
H 6.088920 0.655899 1.325046
H 6.104032 -1.096402 1.036950
H 1.035272 0.844874 0.357390
H 1.022690 -0.914870 0.124143
H 7.769485 0.979071 -0.546207
H 7.786191 -0.773296 -0.834397
H 0.170726 -0.597607 -2.237104
H 0.187583 1.165731 -2.011162
H 8.619092 0.598191 1.810276
H 8.638011 -1.152460 1.520320
H -1.346789 -2.030197 -0.610391
H -1.747211 2.286520 -0.980653
H 10.356449 -0.832978 -0.333301
H 10.952873 -0.173997 1.216993
H 10.334100 0.929167 -0.045564
H -5.560155 0.848165 1.028661


