%chk=000090064.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090064

0 1
 O   -2.929200       1.621700       1.677100    
 O   -3.665600       2.320200     -0.9864000    
 O   -4.752900     -0.4826000       2.018600    
 O   -6.080700      -1.548900     -0.1861000    
 O   -4.046100      -3.217100      -1.180900    
 N  -0.3208000      0.8365000     -0.4764000    
 C   -3.072900      0.6391000      0.6530000    
 C   -2.730800       1.279700     -0.7106000    
 C   -4.502100      4.9400002E-02  0.7190000    
 C   -1.313600       1.872400     -0.7241000    
 C    2.059100      0.2896000     -0.2663000    
 C    3.484700      0.8458000     -0.3177000    
 C   -4.744600      -1.068200     -0.3188000    
 C    1.029000       1.384500     -0.5384000    
 C    4.515500     -0.2429000     -1.0800000E-02
 C    5.963000      0.2554000     -7.1699999E-02
 C    6.991100     -0.8292000      0.2611000    
 C   -3.786200      -2.250900     -0.1755000    
 C    8.438300     -0.3450000      0.1400000    
 C    9.465100      -1.409500      0.4947000    
 H   -2.350600     -0.1423000      0.9071000    
 H   -2.816000      0.5417000      -1.514600    
 H   -5.241300      0.8481000      0.5837000    
 H   -1.233200       2.675500      1.8999999E-02
 H   -1.145400       2.344000      -1.701200    
 H    1.875100     -0.1540000      0.7205000    
 H    1.954500     -0.5140000      -1.006200    
 H    3.590500       1.662000      0.4070000    
 H    3.680500       1.266900      -1.311100    
 H   -4.671000     -0.6713000      -1.336800    
 H    1.216200       1.821600      -1.526900    
 H    1.144200       2.179200      0.2085000    
 H    4.320300     -0.6534000      0.9878000    
 H    4.392600      -1.069100     -0.7221000    
 H  -0.4213000      8.9400001E-02  -1.163100    
 H    6.163700      0.6468000      -1.076700    
 H    6.086400       1.093400      0.6252000    
 H    6.843200      -1.685200     -0.4088000    
 H    6.814300      -1.191200       1.281400    
 H   -2.743400      -1.942000     -0.2817000    
 H   -3.918900      -2.743500      0.7932000    
 H   -3.642600       2.273400       1.571500    
 H   -3.522400       3.034800     -0.3432000    
 H    8.587200      0.5211000      0.7958000    
 H    8.622300     -2.7000001E-03 -0.8853000    
 H   -5.656200     -0.8430000       2.018300    
 H   -6.678600     -0.7920000     -0.3093000    
 H    9.370600      -2.277600     -0.1653000    
 H    9.335600      -1.747600       1.527700    
 H    10.47870      -1.010200      0.3907000    
 H   -3.419200      -3.948000      -1.045700    


%chk=000090064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090064

0 1
O -3.637183 2.220414 1.339829
O -4.049824 2.721504 -1.199700
O -4.597526 -0.184634 1.921488
O -4.954678 -2.260607 0.287517
O -2.540420 -3.269728 -0.140576
N -0.554211 1.325515 -1.067101
C -3.213147 1.109765 0.462627
C -2.992356 1.748129 -0.931161
C -4.302647 0.025915 0.490921
C -1.586944 2.390630 -1.018560
C 1.785873 0.541716 -0.714931
C 3.226436 0.913067 -0.297848
C -3.901722 -1.321031 -0.145988
C 0.816241 1.738971 -0.677574
C 4.191624 -0.293705 -0.320368
C 5.631570 0.062775 0.112902
C 6.592304 -1.147598 0.091875
C -2.534179 -1.857855 0.306196
C 8.031800 -0.797102 0.533176
C 8.982263 -2.013832 0.510187
H -2.253173 0.700477 0.829185
H -3.080917 0.977973 -1.722213
H -5.215356 0.395854 -0.020786
H -1.415367 3.004987 -0.114610
H -1.570315 3.075955 -1.894945
H 1.391714 -0.250777 -0.047798
H 1.801985 0.113657 -1.740500
H 3.212269 1.349990 0.722499
H 3.615297 1.705685 -0.970550
H -3.914319 -1.237207 -1.251326
H 1.219190 2.559007 -1.322927
H 0.766482 2.141431 0.353224
H 3.796825 -1.089670 0.345480
H 4.213138 -0.726337 -1.342712
H -0.544289 0.866514 -1.990574
H 6.028999 0.857947 -0.552156
H 5.610450 0.495162 1.135271
H 6.618610 -1.577800 -0.931425
H 6.192755 -1.945041 0.753315
H -1.711706 -1.289740 -0.171225
H -2.446887 -1.796222 1.409753
H -4.101320 1.801288 2.113955
H -4.267481 3.113599 -0.306080
H 8.004797 -0.367138 1.555437
H 8.431849 -0.001110 -0.127697
H -5.132731 -1.023826 1.965336
H -4.582326 -3.173607 0.148280
H 9.051597 -2.443308 -0.507162
H 8.620593 -2.811709 1.186210
H 10.003708 -1.737295 0.830420
H -1.721245 -3.730252 0.162613


