%chk=000040641.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040641

0 1
 O   0.6649000      0.9669000     -0.9239000    
 O   -1.335600      -1.509900      9.4099998E-02
 O  -0.5827000      -1.959600      -2.034300    
 N   -2.335500       2.871200      4.1800000E-02
 C    3.227700       1.654100      8.6800002E-02
 C    2.689900      0.2616000      0.1248000    
 C    1.424200     -2.9999999E-02 -0.3837000    
 C   0.9624000      -1.331800     -0.3303000    
 C    1.719300      -2.352500      0.2132000    
 C    3.470300     -0.7539000      0.6775000    
 C    4.502700       1.767800     -0.7689000    
 C    3.489200       2.221100       1.494300    
 C    2.985000      -2.060900      0.7218000    
 C   -3.619700      -1.594300      0.8840000    
 C  -0.2059000       1.667000     -3.9200000E-02
 C   -2.673100      -1.779600     -0.3051000    
 C  -0.3855000      -1.637900     -0.8728000    
 C   -1.407700       2.163000     -0.8274000    
 C    1.226300      -3.761700      0.2748000    
 C   -3.575600     -0.1594000       1.413300    
 C   -5.046700      -1.972100      0.4929000    
 C   -3.513700       3.313000     -0.7084000    
 C   -1.680200       4.018300      0.6747000    
 H    2.509200       2.332100     -0.3854000    
 H    4.459000     -0.5517000       1.079900    
 H    4.326400       1.389200      -1.781900    
 H    4.817800       2.813900     -0.8515000    
 H    5.337400       1.203100     -0.3400000    
 H    4.281000       1.674400       2.017500    
 H    3.795000       3.271300       1.434100    
 H    2.583100       2.170100       2.108400    
 H    3.606200      -2.839700       1.156300    
 H   -3.289900      -2.253600       1.697200    
 H   0.3740000       2.493800      0.3796000    
 H  -0.5262000       1.023800      0.7894000    
 H   -2.953800      -1.103500      -1.122100    
 H   -2.734800      -2.812900     -0.6678000    
 H   -1.902400       1.297100      -1.285300    
 H   -1.067300       2.790600      -1.662200    
 H    1.966500      -4.433600      0.7229000    
 H   0.3189000      -3.824300      0.8846000    
 H    1.013800      -4.138500     -0.7311000    
 H   -2.568300      0.1155000       1.738900    
 H   -3.901100      0.5489000      0.6462000    
 H   -4.241300     -4.6799999E-02   2.275800    
 H   -5.420800      -1.332800     -0.3141000    
 H   -5.094100      -3.011600      0.1515000    
 H   -5.724200      -1.870400       1.347300    
 H   -4.240900       3.786700     -3.9600000E-02
 H   -4.022000       2.457100      -1.166500    
 H   -3.255600       4.025100      -1.500600    
 H   -2.417800       4.632900       1.205300    
 H  -0.9684000       3.707300       1.445600    
 H   -1.171500       4.663300     -5.0999999E-02


%chk=000040641-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040641

0 1
O 0.471359 0.703769 -0.867686
O -1.390451 -1.330130 0.059609
O -0.586862 -2.893344 -1.477576
N -2.321291 3.069762 -0.127916
C 3.109375 1.689671 -0.039326
C 2.662981 0.236868 0.144074
C 1.367532 -0.202787 -0.241088
C 0.983534 -1.569044 -0.139390
C 1.900473 -2.542210 0.353419
C 3.547174 -0.737367 0.667305
C 4.329622 1.784580 -0.994008
C 3.419978 2.367676 1.321983
C 3.175755 -2.093360 0.772413
C -3.712279 -1.655190 0.845073
C -0.334336 1.553108 0.048644
C -2.798125 -1.558228 -0.386548
C -0.371000 -2.006260 -0.617832
C -1.207633 2.424853 -0.863653
C 1.534903 -4.013158 0.444815
C -3.588302 -0.413624 1.757920
C -5.169858 -1.857354 0.362106
C -3.310737 3.661166 -1.054218
C -1.859603 4.054362 0.874396
H 2.277993 2.236381 -0.521095
H 4.553030 -0.433307 0.981013
H 4.100913 1.330600 -1.974500
H 4.609047 2.842098 -1.157777
H 5.211016 1.264001 -0.575336
H 4.264430 1.867967 1.832666
H 3.696599 3.428149 1.173246
H 2.548995 2.328882 2.002117
H 3.888757 -2.822537 1.173676
H -3.405584 -2.550927 1.422740
H 0.347310 2.151146 0.686411
H -0.966807 0.905752 0.679428
H -3.067892 -0.683496 -1.009566
H -2.827901 -2.473764 -1.004086
H -1.640074 1.757909 -1.631939
H -0.564748 3.170147 -1.399043
H 2.351456 -4.589115 0.911635
H 0.619087 -4.171105 1.044720
H 1.332401 -4.432694 -0.556192
H -2.572156 -0.334641 2.181706
H -3.789824 0.518541 1.195311
H -4.307922 -0.476330 2.595116
H -5.519562 -0.978609 -0.213317
H -5.270696 -2.751472 -0.281390
H -5.847507 -1.982406 1.225677
H -4.167506 4.055648 -0.479159
H -3.687576 2.883891 -1.742430
H -2.895350 4.497546 -1.672167
H -2.733803 4.491134 1.388819
H -1.233946 3.562296 1.638443
H -1.266490 4.891755 0.424160


