%chk=000001197.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001197

0 1
 O   0.5693000       2.523000      -1.942300    
 O    1.800000       3.716700     -0.4688000    
 O    2.449800      -3.159600      0.7777000    
 O   -2.245500       1.346000       1.655100    
 O    2.960600      -2.699800      -1.389100    
 O   -6.117600      -1.630000      0.3289000    
 O   -4.692600      -1.771500      -1.434000    
 N  -0.7437000       1.195500     -0.1128000    
 N    4.766300     -0.8074000     -0.6766000    
 C    1.314800       1.279800       1.222100    
 C    2.153700      0.2896000      0.4021000    
 C   0.2703000       2.067100      0.4213000    
 C    3.218100     -0.4373000       1.232000    
 C    4.038400      -1.448700      0.4174000    
 C   0.9563000       2.853600     -0.6869000    
 C   -1.928000      0.9045000      0.5541000    
 C    3.115300      -2.483400     -0.1956000    
 C   -2.805000     -4.2599998E-02 -0.2452000    
 C   -4.110200     -0.3736000      0.4713000    
 C   -4.970300      -1.322000     -0.3308000    
 H   0.8123000      0.7320000       2.029700    
 H    1.996900       1.990500       1.706700    
 H    1.476700     -0.4401000     -5.6000002E-02
 H    2.644700      0.8252000     -0.4179000    
 H  -0.2220000       2.797000       1.074900    
 H    3.896500      0.3032000       1.675000    
 H    2.729200     -0.9469000       2.071700    
 H    4.757000      -1.964300       1.064200    
 H  -0.5729000      0.7637000      -1.016900    
 H   -3.015900      0.4204000      -1.217000    
 H   -2.236100     -0.9612000     -0.4347000    
 H    5.365700      -1.491700      -1.136700    
 H    5.387700     -9.2900001E-02 -0.2994000    
 H   -4.683400      0.5439000      0.6463000    
 H   -3.895100     -0.8415000       1.438700    
 H    1.039900       3.050800      -2.622100    
 H    1.840900      -3.831900      0.4042000    
 H   -6.680800      -2.246400     -0.1859000    


%chk=000001197-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001197

0 1
O 0.710340 2.612039 -1.937701
O 1.776142 3.899864 -0.323330
O 2.395436 -3.217044 0.593397
O -1.988713 0.999965 1.705204
O 3.288680 -2.767089 -1.500260
O -6.300721 -1.304550 0.200711
O -4.448521 -2.536018 -0.459072
N -0.758753 1.258478 -0.244800
N 4.837549 -0.710461 -0.527507
C 1.291908 1.294262 1.242268
C 2.097949 0.271587 0.417442
C 0.252253 2.106465 0.403187
C 3.107243 -0.501117 1.288971
C 4.037655 -1.441125 0.456966
C 0.984936 2.979494 -0.607892
C -1.824147 0.749065 0.468634
C 3.229504 -2.510617 -0.276285
C -2.765911 -0.166497 -0.323962
C -4.168136 -0.196973 0.307178
C -4.927633 -1.458335 -0.037619
H 0.724169 0.789014 2.045218
H 1.973900 2.022307 1.722022
H 1.400237 -0.443730 -0.063329
H 2.663443 0.770826 -0.393198
H -0.271172 2.780535 1.109052
H 3.763041 0.216389 1.820978
H 2.583229 -1.104192 2.054495
H 4.660876 -2.003407 1.193382
H -0.663979 1.084489 -1.247525
H -2.811650 0.136882 -1.386474
H -2.351167 -1.193834 -0.307866
H 4.890592 -1.144537 -1.451929
H 5.705942 -0.302225 -0.184116
H -4.774931 0.681637 0.029319
H -4.051703 -0.146453 1.409548
H 1.239242 3.181133 -2.558917
H 1.898280 -3.912292 0.083279
H -6.764107 -2.164232 0.005231


