%chk=000048953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048953

0 1
 O   -2.107900      -1.471700     -0.3363000    
 O   -1.679600     -0.2152000      -2.217000    
 N   5.0700001E-02  -3.083900      0.5381000    
 C    1.491300      -3.240700      0.7002000    
 C    2.224900      -2.031000      0.1232000    
 C    1.785900     -0.7383000      0.8158000    
 C  -0.2959000      -2.936600     -0.8766000    
 C    2.528500      0.4600000      0.2826000    
 C  -0.6603000      -4.224300       1.118700    
 C   -1.782600      -2.663700      -1.039400    
 C    3.720800      0.8437000      0.8788000    
 C    2.008400       1.160100     -0.7960000    
 C    4.408300       1.952500      0.3854000    
 C    2.696100       2.268800      -1.289500    
 C    3.896000       2.664900     -0.6987000    
 C   -2.014100     -0.3137000      -1.046600    
 C   -2.376800      0.8526000     -0.2024000    
 C   -2.941600       1.959700     -0.8018000    
 C   -2.138300      0.7929000       1.155400    
 C   -3.282700       3.055400     -8.8000000E-03
 C   -2.479500       1.888600       1.948500    
 C   -3.051700       3.019700       1.366300    
 H    1.741700      -3.327000       1.765200    
 H    1.853400      -4.152800      0.2084000    
 H    3.297000      -2.179600      0.3153000    
 H    2.155900      -1.959800     -0.9670000    
 H   0.7118000     -0.5625000      0.6904000    
 H    1.948200     -0.8159000       1.899000    
 H   0.2082000      -2.081100      -1.331800    
 H  -1.8400000E-02  -3.828500      -1.452500    
 H  -0.2976000      -4.421000       2.135200    
 H   -1.729400      -4.024200       1.236800    
 H  -0.5267000      -5.142900      0.5359000    
 H   -2.417500      -3.472300     -0.6664000    
 H   -2.032500      -2.577200      -2.104700    
 H    4.128900      0.2942000       1.722300    
 H    1.076200      0.8581000      -1.264500    
 H    5.342900       2.260800      0.8449000    
 H    2.297400       2.823300      -2.133900    
 H    4.431500       3.528100      -1.083100    
 H   -3.129200       1.997900      -1.870700    
 H   -1.683100     -7.0200004E-02   1.631600    
 H   -3.728700       3.936000     -0.4618000    
 H   -2.296900       1.862400       3.018800    
 H   -3.316600       3.873000       1.983700    


%chk=000048953-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048953

0 1
O -2.353119 -1.609058 -0.395531
O -1.121865 -0.266856 -1.849123
N 0.052186 -3.118849 0.458318
C 1.531550 -3.219505 0.573016
C 2.289102 -1.980762 0.044819
C 1.910740 -0.671349 0.788824
C -0.409711 -3.144188 -0.941918
C 2.570556 0.552997 0.172834
C -0.649879 -4.086500 1.323244
C -1.902085 -2.817613 -1.135013
C 3.733396 1.129301 0.745860
C 2.050543 1.125334 -1.019912
C 4.365234 2.244174 0.147307
C 2.680225 2.237685 -1.621338
C 3.841087 2.802249 -1.041176
C -1.862578 -0.381463 -0.836225
C -2.323496 0.749419 0.019745
C -1.900293 2.061231 -0.319064
C -3.159041 0.544492 1.148833
C -2.310340 3.159051 0.464179
C -3.568671 1.646609 1.927891
C -3.146318 2.954213 1.587776
H 1.766148 -3.342465 1.648532
H 1.920627 -4.133409 0.051710
H 3.375720 -2.170263 0.153465
H 2.114169 -1.844826 -1.039697
H 0.809287 -0.577935 0.767802
H 2.203021 -0.769425 1.853040
H 0.179688 -2.416430 -1.520142
H -0.254824 -4.151958 -1.419696
H -0.259182 -4.007512 2.352690
H -1.728113 -3.853884 1.361074
H -0.532371 -5.149562 0.988585
H -2.562513 -3.606419 -0.742090
H -2.095727 -2.671830 -2.213837
H 4.144129 0.703014 1.670292
H 1.145868 0.699489 -1.473253
H 5.261302 2.676926 0.607693
H 2.264930 2.665873 -2.541412
H 4.328352 3.666427 -1.507301
H -1.252510 2.197034 -1.191198
H -3.472752 -0.471768 1.401872
H -1.977938 4.169473 0.203687
H -4.213487 1.489325 2.799353
H -3.464646 3.808114 2.196481


