%chk=000042090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042090

0 1
 O    2.716600       1.556400       2.350500    
 O    2.800900      -1.764600     -0.3759000    
 O   0.7840000       2.575700      -2.113900    
 O   -1.056300      -1.434400      0.9118000    
 O   -2.720900     -0.5149000      -1.018100    
 O    3.307600      -4.009500     -0.3147000    
 N    5.275000       1.412100      0.9371000    
 N    2.421700       1.408300     -1.5000000E-02
 N    3.781800      -2.734700      -2.168600    
 C    4.269800      0.3482000      0.9801000    
 C    2.832100      0.6941000       1.218200    
 C    4.693500      0.9599000     -0.3149000    
 C    3.534400       1.700400     -0.9139000    
 C    1.773000     -0.4523000       1.335500    
 C    1.147400       1.034300     -0.3742000    
 C   0.7044000      2.3200000E-02  0.3715000    
 C    2.270100      -1.839500      0.9341000    
 C   0.3537000       1.640900      -1.447100    
 C  -0.6377000     -0.5304000      0.1973000    
 C    3.366900       1.006500       3.485200    
 C   -1.015600       1.062900      -1.672600    
 C   -1.471000      5.7900000E-02 -0.8940000    
 C   -1.769300       1.703200      -2.806700    
 C    3.296800      -2.931400     -0.8993000    
 C   -3.664200      0.1605000     -0.2094000    
 C   -5.019500     -0.5170000     -0.3635000    
 C   -6.091400      0.1766000      0.4756000    
 C   -7.466700     -0.4899000      0.3785000    
 C   -8.545100      0.2190000       1.199000    
 C   -9.872000     -0.5214000       1.127300    
 H    4.628500     -0.6121000       1.307600    
 H    5.322300      0.4178000      -1.002500    
 H    6.206100       1.013700       1.054400    
 H    3.337200       1.329000      -1.925400    
 H    3.722900       2.777800     -0.9579000    
 H    1.340800     -0.4966000       2.342100    
 H    3.038900      -2.183500       1.635500    
 H    1.445600      -2.562500      0.9543000    
 H    3.174200     -6.3100003E-02   3.613900    
 H    4.443400       1.195600       3.460000    
 H    2.976600       1.521300       4.368700    
 H   -1.201800       1.621000      -3.739600    
 H   -2.740700       1.227400      -2.973400    
 H   -1.949600       2.762400      -2.596300    
 H   -3.745800       1.211200     -0.5160000    
 H   -3.359800      0.1291000      0.8445000    
 H    4.186400      -3.495500      -2.703900    
 H    3.751400      -1.821400      -2.609200    
 H   -4.934500      -1.571400     -7.2600000E-02
 H   -5.310100     -0.5189000      -1.421400    
 H   -6.177900       1.222900      0.1572000    
 H   -5.776500      0.1908000       1.526400    
 H   -7.777200     -0.5228000     -0.6732000    
 H   -7.380400      -1.530600      0.7151000    
 H   -8.228800      0.2886000       2.246200    
 H   -8.678400       1.242600      0.8307000    
 H   -10.23000     -0.5855000      9.4899997E-02
 H   -9.776400      -1.537900       1.522200    
 H   -10.63010      2.3000001E-03   1.718000    


%chk=000042090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042090

0 1
O 3.154629 1.883571 1.977618
O 2.094479 -2.108939 -0.019309
O 1.235628 2.328710 -2.649189
O -1.255053 -0.655621 1.286532
O -2.819459 0.593857 -0.851274
O 4.111082 -3.198509 0.570870
N 5.557136 1.009637 0.599954
N 2.665457 1.370532 -0.269712
N 3.163189 -3.370484 -1.568418
C 4.372148 0.049952 0.723734
C 3.037412 0.751708 1.039657
C 4.834732 0.523825 -0.645162
C 3.813613 1.534913 -1.192928
C 1.770025 -0.108508 1.432072
C 1.331643 1.191305 -0.520504
C 0.717514 0.428859 0.467547
C 1.883509 -1.644313 1.378001
C 0.602240 1.706834 -1.724164
C -0.678100 0.120670 0.432789
C 3.838670 1.550026 3.231130
C -0.841594 1.454960 -1.760173
C -1.454343 0.741757 -0.729210
C -1.640574 1.999036 -2.921915
C 3.208463 -2.928305 -0.266086
C -3.700311 -0.060620 0.168494
C -5.133187 0.168362 -0.313442
C -6.161549 -0.472114 0.648755
C -7.621796 -0.254707 0.192053
C -8.658714 -0.887525 1.147885
C -10.115356 -0.664335 0.687177
H 4.545910 -0.977488 1.053522
H 5.343347 -0.155474 -1.335954
H 6.444954 0.485140 0.735257
H 3.495142 1.324852 -2.225592
H 4.211151 2.563074 -1.143309
H 1.510628 0.139646 2.479167
H 2.704770 -2.028698 2.009011
H 0.920921 -2.077388 1.696599
H 3.343716 0.712608 3.768080
H 4.900513 1.303882 3.048362
H 3.772220 2.460037 3.847084
H -0.968221 2.517968 -3.623258
H -2.171171 1.190484 -3.457365
H -2.415665 2.706387 -2.573892
H -3.509578 0.394120 1.156242
H -3.439811 -1.130678 0.229895
H 3.899685 -3.985907 -1.901616
H 2.373829 -3.131089 -2.164245
H -5.249492 -0.259498 -1.328077
H -5.321815 1.256046 -0.397613
H -6.030987 -0.050660 1.667255
H -5.963647 -1.560831 0.734655
H -7.821482 0.833608 0.104651
H -7.756205 -0.677969 -0.825310
H -8.458841 -1.975178 1.233884
H -8.522004 -0.465358 2.164500
H -10.349483 0.415089 0.622089
H -10.286743 -1.104578 -0.313399
H -10.836872 -1.124880 1.386793


