%chk=000048513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048513

1 1
 O   0.2236000      0.6411000      0.5530000    
 O    1.219900     -0.8670000     -0.8741000    
 O    1.658400       3.132900     -0.5466000    
 N   -3.765900     -0.5521000     -0.2162000    
 C   -3.470600     -0.1063000       1.167300    
 C   -2.113900      0.6274000       1.271400    
 C   -5.260300     -0.8625000     -0.3826000    
 C   -2.974400      -1.821500     -0.5613000    
 C   -3.389200      0.5352000      -1.232400    
 C   -1.012300     -5.0200000E-02  0.4263000    
 C   -1.695100      0.6084000       2.756800    
 C   -2.244300       2.096000      0.8261000    
 C   -6.061900      0.3951000     -0.1268000    
 C   -3.326600      -2.912300      0.4264000    
 C   -3.742000      5.9500001E-02  -2.624900    
 C    1.276000      0.1243000     -0.1576000    
 C    2.526800      0.9648000      8.2599998E-02
 C    3.778600      0.1022000      5.1100001E-02
 C    2.591700       2.124300     -0.9217000    
 C    4.251600     -0.4836000       1.225500    
 C    4.453600     -0.1039000      -1.152100    
 C    5.399600      -1.275100       1.196700    
 C    5.601700     -0.8956000      -1.180700    
 C    6.074800      -1.481200     -6.3000000E-03
 H   -4.231300      0.5917000       1.515800    
 H   -3.541400     -0.9488000       1.858000    
 H   -5.464400      -1.330700      -1.348400    
 H   -5.550500      -1.570400      0.3981000    
 H   -3.370400      -2.185200      -1.516500    
 H   -1.913000      -1.736800     -0.7336000    
 H   -2.349800      0.7870000      -1.314600    
 H   -3.932500       1.453600      -1.000700    
 H   -1.111700     -0.1272000     -0.6415000    
 H  -0.8349000      -1.049500      0.8466000    
 H  -0.7488000       1.135400       2.922700    
 H   -2.454500       1.089800       3.383900    
 H   -1.566000     -0.4182000       3.118600    
 H   -3.257300       2.488500      0.9672000    
 H   -1.597700       2.733400       1.444800    
 H   -1.916600       2.316900     -0.1919000    
 H   -5.999200      0.8046000      0.8817000    
 H   -5.901100       1.191500     -0.8559000    
 H   -7.121900      0.1306000     -0.2427000    
 H   -2.867300      -2.766400       1.407700    
 H   -4.387800      -3.129000      0.5470000    
 H   -2.891500      -3.850000      5.5399999E-02
 H   -3.164900     -0.8035000      -2.964900    
 H   -4.805600     -0.1129000      -2.798000    
 H   -3.479800      0.8628000      -3.327000    
 H    2.445500       1.388800       1.093800    
 H    2.339300       1.799700      -1.937200    
 H    3.582600       2.591600     -0.9306000    
 H    3.733600     -0.3331000       2.168900    
 H    4.102900      0.3218000      -2.087200    
 H    1.729200       3.845700      -1.204200    
 H    5.767400      -1.732000       2.110800    
 H    6.125300      -1.059900      -2.118000    
 H    6.968000      -2.098700     -2.8899999E-02


%chk=000048513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048513

1 1
O 0.519933 0.023196 1.151379
O 0.898740 0.479371 -1.107302
O 1.629097 3.235822 0.688197
N -3.853282 -0.670398 -0.371202
C -3.365346 0.018689 0.947446
C -1.907469 0.557210 1.159535
C -5.411043 -0.710258 -0.305573
C -3.348518 -2.138738 -0.488084
C -3.377603 0.114989 -1.620225
C -0.820274 -0.494367 0.799764
C -1.846087 0.821320 2.698758
C -1.639644 1.912436 0.444482
C -6.130766 0.631224 -0.494216
C -3.656867 -3.066419 0.693835
C -3.907873 -0.396520 -2.966316
C 1.296950 0.508025 0.078799
C 2.629498 1.043904 0.586378
C 3.810246 0.185801 0.113899
C 2.779951 2.507617 0.120683
C 4.720296 -0.331399 1.068967
C 4.031129 -0.070536 -1.264070
C 5.839236 -1.089519 0.656259
C 5.149277 -0.829421 -1.674948
C 6.057240 -1.339351 -0.717870
H -4.039686 0.880855 1.079200
H -3.604076 -0.713056 1.737092
H -5.730864 -1.430138 -1.077331
H -5.656300 -1.137712 0.680582
H -3.814752 -2.537847 -1.403372
H -2.263839 -2.080935 -0.661668
H -2.277310 0.073281 -1.608989
H -3.673950 1.161586 -1.450299
H -0.802630 -0.729897 -0.279671
H -0.937571 -1.414700 1.399183
H -0.850843 1.217243 2.956923
H -2.600205 1.568386 3.007531
H -2.006484 -0.102624 3.285792
H -2.461087 2.623875 0.652531
H -0.706017 2.360066 0.826887
H -1.514533 1.823213 -0.645875
H -5.858704 1.386742 0.261678
H -5.984939 1.065510 -1.496378
H -7.213135 0.443674 -0.377529
H -3.147860 -2.774985 1.626815
H -4.735452 -3.177356 0.892455
H -3.278771 -4.069760 0.427767
H -3.528076 -1.396753 -3.230617
H -5.008425 -0.402908 -3.033012
H -3.542248 0.294694 -3.746353
H 2.589264 1.041365 1.688181
H 2.772855 2.558860 -0.986014
H 3.737957 2.909520 0.503889
H 4.555744 -0.140581 2.136451
H 3.322435 0.306014 -2.010359
H 1.721108 4.202849 0.501585
H 6.536929 -1.482341 1.403643
H 5.313589 -1.022254 -2.740754
H 6.924755 -1.925564 -1.039438


