%chk=000068862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068862

0 1
 O   0.8415000      8.4299996E-02  -1.746800    
 O  -0.2590000      0.3226000       1.465600    
 N   -4.676600     -0.2723000      0.1717000    
 N  -0.9877000     -0.8244000     -0.4001000    
 C   -3.296600      6.9999998E-04 -0.2530000    
 C   -3.436000      0.1544000      -1.769000    
 C   -4.881200      0.5828000      -1.998600    
 C   -5.502100      0.6489000     -0.6132000    
 C   -2.319500      -1.108800      0.1151000    
 C   -4.887000     -9.0899996E-02   1.602900    
 C   -6.344000     -0.3069000       1.975400    
 C  -5.0900001E-02 -0.1178000      0.3348000    
 C    1.305400      2.9300001E-02 -0.3825000    
 C    2.071400       1.307500     -2.4700001E-02
 C    2.202300      -1.201200     -0.2026000    
 C    2.570900       1.438600       1.249500    
 C    3.358300      -1.283700     -0.9415000    
 C    2.227800       2.271600     -0.9922000    
 C    1.813200      -2.171500      0.6897000    
 C    3.267800       2.602300       1.575300    
 C    4.174100      -2.403300     -0.7784000    
 C    2.924800       3.435200     -0.6664000    
 C    2.628900      -3.291100      0.8530000    
 C    3.444700       3.600500      0.6173000    
 C    3.809400      -3.407000      0.1188000    
 H   -2.949700      0.9589000      0.1605000    
 H   -3.248100     -0.7854000      -2.302300    
 H   -2.736400      0.9025000      -2.157900    
 H   -5.393400     -0.1619000      -2.619300    
 H   -4.941800       1.547100      -2.513100    
 H   -6.553800      0.3483000     -0.6560000    
 H   -5.442900       1.676700     -0.2320000    
 H   -2.628000      -2.069900     -0.3119000    
 H   -2.251600      -1.233000       1.200900    
 H   -4.571500      0.9055000       1.937200    
 H   -4.289600     -0.8224000       2.158200    
 H  -0.7582000      -1.174300      -1.323700    
 H   -6.447000     -0.3234000       3.065900    
 H   -6.718100      -1.263700       1.595400    
 H   -6.991600      0.4946000       1.606000    
 H   0.9359000     -0.7927000      -2.155900    
 H    2.440800      0.6720000       2.006700    
 H    3.650000     -0.5138000      -1.648900    
 H    1.838900       2.177500      -2.000000    
 H   0.9150000      -2.122000       1.293300    
 H    3.672500       2.731200       2.574900    
 H    5.092400      -2.494400      -1.351100    
 H    3.063100       4.212800      -1.412100    
 H    2.347300      -4.071600       1.553900    
 H    3.987300       4.506500      0.8709000    
 H    4.444800      -4.278600      0.2462000    


%chk=000068862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068862

0 1
O 1.256261 -0.748594 -2.074747
O -0.299053 -0.917023 1.254156
N -4.500311 0.174200 0.269953
N -1.078851 -0.933640 -0.946241
C -3.151356 0.366117 -0.348037
C -3.408714 1.176761 -1.654390
C -4.946700 1.108652 -1.859614
C -5.472374 1.064650 -0.411381
C -2.500971 -1.025514 -0.585722
C -4.514493 0.203248 1.748053
C -5.825206 -0.347250 2.339539
C -0.093980 -0.840343 0.001709
C 1.335727 -0.581779 -0.587306
C 1.694984 0.887814 -0.292625
C 2.378982 -1.574646 -0.051310
C 1.850555 1.313219 1.051963
C 3.756629 -1.274172 -0.223970
C 1.860060 1.821503 -1.342115
C 2.012950 -2.824274 0.509575
C 2.175501 2.656405 1.336800
C 4.747586 -2.207139 0.147997
C 2.187121 3.166874 -1.052861
C 3.006331 -3.756219 0.884779
C 2.347216 3.589236 0.286055
C 4.375037 -3.453776 0.703191
H -2.474736 0.933620 0.329735
H -2.845112 0.773863 -2.515580
H -3.090832 2.226366 -1.518752
H -5.230714 0.179327 -2.386248
H -5.342495 1.966008 -2.430785
H -6.498393 0.661009 -0.342167
H -5.479869 2.095027 0.030182
H -3.048334 -1.557771 -1.384001
H -2.581520 -1.615359 0.343962
H -4.341027 1.242792 2.131734
H -3.666174 -0.409251 2.107182
H -0.767662 -0.859255 -1.920256
H -5.772262 -0.364125 3.443614
H -6.004543 -1.375578 1.978720
H -6.693415 0.274260 2.054274
H 1.796732 -1.540728 -2.319927
H 1.699809 0.593277 1.863241
H 4.045813 -0.302379 -0.639957
H 1.736282 1.482009 -2.373955
H 0.957703 -3.057030 0.680634
H 2.294089 2.975687 2.378404
H 5.806500 -1.961013 0.011655
H 2.316947 3.882017 -1.873423
H 2.711495 -4.714883 1.325776
H 2.601937 4.631526 0.509831
H 5.143046 -4.177430 0.998554


