%chk=000045544.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045544

0 1
 O    1.690700       1.226800     -0.3411000    
 O    2.971600      -1.157700      0.1716000    
 N   -3.263300      0.3731000      0.2304000    
 C   -1.148700       1.462400     -0.3796000    
 C   -2.629800       1.285400     -0.7295000    
 C  -0.4459000      0.1532000     -0.1308000    
 C   -2.699600     -0.9817000      9.3699999E-02
 C   -1.189000      -1.008500      0.1405000    
 C   0.9538000      0.1015000     -0.1094000    
 C  -0.5192000      -2.213300      0.3925000    
 C   -4.712900      0.3431000      3.9099999E-02
 C    1.610500      -1.100300      0.1539000    
 C   0.8748000      -2.256800      0.4023000    
 C    2.029900       2.021000      0.7924000    
 C    2.853400       3.206200      0.3355000    
 C    3.623600      -1.454500      -1.061600    
 H   -1.069600       2.074800      0.5270000    
 H  -0.6629000       2.005100      -1.199100    
 H   -3.107600       2.272400     -0.6973000    
 H   -2.735200      0.9072000      -1.755500    
 H   -3.014200      -1.440300     -0.8535000    
 H   -3.083200      -1.600800      0.9142000    
 H   -1.081300      -3.124200      0.5826000    
 H   -5.141200       1.339300      0.1959000    
 H   -5.184000     -0.3200000      0.7732000    
 H   -4.992300      1.9000000E-03 -0.9642000    
 H    1.380300      -3.197300      0.6046000    
 H    1.123600       2.374500       1.295000    
 H    2.612300       1.423400       1.503200    
 H    3.135900       3.836500       1.183300    
 H    3.762700       2.870300     -0.1738000    
 H    2.291100       3.811500     -0.3831000    
 H    4.702900      -1.457200     -0.8864000    
 H    3.393200     -0.6925000      -1.812800    
 H    3.325300      -2.443100      -1.424900    


%chk=000045544-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045544

0 1
O 1.603833 1.256537 -0.351737
O 2.956757 -1.238070 0.286930
N -3.383386 0.349347 0.123894
C -1.238693 1.444134 -0.440665
C -2.697958 1.209850 -0.868337
C -0.541828 0.136574 -0.098315
C -2.816557 -1.016320 0.131406
C -1.294099 -1.030920 0.193943
C 0.876044 0.076407 -0.050182
C -0.622674 -2.231536 0.530457
C -4.847317 0.326519 -0.042371
C 1.542269 -1.145164 0.240070
C 0.785013 -2.295033 0.547771
C 2.410589 1.802535 0.781294
C 3.082667 3.074820 0.272414
C 3.630592 -0.990977 -1.008055
H -1.231554 2.105226 0.448165
H -0.679356 1.972376 -1.233457
H -3.232793 2.175841 -0.920595
H -2.725975 0.756688 -1.894372
H -3.137759 -1.589248 -0.783081
H -3.228713 -1.561406 1.002581
H -1.206519 -3.128081 0.771961
H -5.246126 1.354316 0.022948
H -5.305169 -0.269731 0.768016
H -5.176122 -0.113496 -1.019432
H 1.316910 -3.219756 0.792370
H 1.726596 2.013689 1.627501
H 3.146926 1.040938 1.100624
H 3.689354 3.531520 1.075811
H 3.747230 2.852464 -0.580678
H 2.328883 3.810037 -0.058686
H 4.708878 -1.058255 -0.795989
H 3.373133 0.008553 -1.402918
H 3.342624 -1.768978 -1.740985


