%chk=000030022.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030022

0 1
 O    4.616000      -1.837900     -0.4487000    
 O    2.697900      -2.978600      0.4599000    
 O   -4.153600     -0.6159000      -1.758600    
 O   -5.042400      -1.330500      0.3644000    
 N  -3.5300002E-02   2.449900      0.3800000    
 C    2.198700       2.492900     -0.6819000    
 C    1.266300       3.130800      0.3492000    
 C    2.320700       1.027000     -0.3780000    
 C    1.187800      0.3481000      0.1239000    
 C  -5.0099999E-02   1.158800      0.2982000    
 C    3.514100      0.3331000     -0.6106000    
 C    1.252500      -1.012700      0.4456000    
 C   -1.373100      0.4932000      0.3528000    
 C    1.019100       4.599000      1.9700000E-02
 C    3.545400      -1.010700     -0.2999000    
 C    2.449100      -1.662000      0.2174000    
 C   -2.087200      0.2896000     -0.8261000    
 C   -1.885200      7.9899997E-02   1.591200    
 C   -3.314300     -0.3332000     -0.7252000    
 C    4.072100      -3.082600      3.5300002E-02
 C   -3.821900     -0.7412000      0.4870000    
 C   -3.130500     -0.5487000       1.665400    
 C   -5.246100      -1.248300      -1.060900    
 H    3.181000       2.977900     -0.6412000    
 H    1.804800       2.608500      -1.699300    
 H    1.712700       3.074200       1.351100    
 H    4.388200      0.8338000      -1.012700    
 H   0.4082000      -1.558100      0.8497000    
 H    1.958500       5.161100      8.1000002E-03
 H   0.5390000       4.711600     -0.9588000    
 H   0.3583000       5.056200      0.7642000    
 H   -1.698700      0.6065000      -1.787900    
 H   -1.318600      0.2456000       2.504200    
 H    4.676700      -3.423500      0.8836000    
 H    4.136500      -3.828700     -0.7651000    
 H   -3.534000     -0.8711000       2.618500    
 H   -5.374700      -2.262500      -1.456100    
 H   -6.161900     -0.6773000      -1.252100    


%chk=000030022-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030022

0 1
O 4.573741 -1.918020 -0.821909
O 2.639699 -3.087856 -0.000584
O -3.676596 -1.881518 -1.331545
O -5.271869 -1.052637 0.265631
N 0.044767 2.496086 0.657704
C 2.242706 2.590767 -0.545140
C 1.393704 3.137561 0.628079
C 2.331133 1.077440 -0.440095
C 1.164814 0.386196 0.014875
C -0.038745 1.212695 0.353091
C 3.520512 0.372283 -0.757858
C 1.191462 -1.031100 0.203212
C -1.405612 0.600129 0.376680
C 1.211243 4.663403 0.563702
C 3.512130 -1.014641 -0.586689
C 2.374777 -1.696791 -0.106686
C -1.774642 -0.418074 -0.558532
C -2.364163 1.091162 1.303896
C -3.085270 -0.889569 -0.505098
C 4.046981 -3.261217 -0.444886
C -4.024379 -0.402195 0.426948
C -3.691062 0.594561 1.349248
C -5.088376 -1.988928 -0.877895
H 3.248947 3.046766 -0.542297
H 1.749694 2.885002 -1.496443
H 1.907778 2.877174 1.582372
H 4.413235 0.895737 -1.110717
H 0.324898 -1.569277 0.592873
H 2.184531 5.184670 0.624551
H 0.713272 4.951138 -0.379895
H 0.573940 5.003878 1.397550
H -1.072709 -0.789436 -1.308694
H -2.052009 1.888226 1.984136
H 4.645873 -3.655446 0.394254
H 4.068001 -3.914257 -1.334109
H -4.421842 0.972126 2.068656
H -5.277837 -3.018909 -0.530254
H -5.756727 -1.682927 -1.701833


