%chk=000001850.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001850

0 1
 O    2.717800     -9.0000004E-02  -1.024400    
 O    3.968500       2.368300      0.7423000    
 O    2.639600     -0.7667000       1.895400    
 O    4.092900      -2.458300      -1.629900    
 O   -3.952600       1.536700     -0.3851000    
 N   0.8136000       1.194700     -0.4365000    
 N   -1.265000       1.996800     -0.5107000    
 N   0.3444000      -1.132500      7.7799998E-02
 N   -2.055600      -1.530800      0.2716000    
 N   -3.674300      0.2068000     -2.4499999E-02
 N   -6.030900      0.1377000      7.1999997E-02
 N   -4.860600      -1.826800      0.4607000    
 C    2.949500       1.378300      0.8611000    
 C    2.276300       1.175100     -0.4995000    
 C    3.570200      2.9200001E-02   1.172400    
 C    3.810500     -0.5541000     -0.2148000    
 C    3.877400      -2.068900     -0.2831000    
 C  -9.3999999E-03  0.1366000     -0.1748000    
 C   1.3200000E-02   2.289100     -0.6306000    
 C   -1.293700      0.6546000     -0.2260000    
 C   -2.339400     -0.2322000      9.2000002E-03
 C  -0.7505000      -1.894800      0.2893000    
 C   -4.841900     -0.5486000      0.1882000    
 H    2.253000       1.721200       1.632900    
 H    2.564400       1.948600      -1.221600    
 H    4.499500      8.6800002E-02   1.747700    
 H    4.717800     -0.1242000     -0.6581000    
 H    2.944400      -2.538300      4.3299999E-02
 H    4.699400      -2.455700      0.3263000    
 H    4.590100       2.087600      4.9600001E-02
 H    2.484100     -0.3295000       2.749900    
 H   0.4155000       3.267900     -0.8538000    
 H    3.358700      -2.102100      -2.159100    
 H  -0.5599000      -2.941200      0.5026000    
 H   -3.925000       1.984200      0.4784000    
 H   -6.047200       1.128100     -0.1455000    
 H   -6.924300     -0.3244000      0.2014000    
 H   -5.836300      -2.127600      0.5591000    


%chk=000001850-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001850

0 1
O 3.057885 0.024419 -1.073365
O 4.435230 2.494479 -0.170366
O 2.731787 0.248004 2.288813
O 2.635364 -2.678433 -0.618191
O -3.676158 1.277675 0.505149
N 0.963030 1.029357 -0.314964
N -1.122822 1.646570 0.377004
N 0.345414 -1.243661 -1.260430
N -2.071585 -1.705399 -1.014957
N -3.517254 -0.113485 0.105516
N -5.854133 -0.037588 0.078740
N -4.657084 -2.149807 0.417960
C 3.279775 1.822517 0.423598
C 2.390961 1.248367 -0.714433
C 3.697188 0.548543 1.224320
C 3.668095 -0.596735 0.172392
C 2.871641 -1.866773 0.559699
C 0.103682 -0.038864 -0.660026
C 0.166012 2.009562 0.292805
C -1.176804 0.372016 -0.210981
C -2.286073 -0.510666 -0.372018
C -0.799932 -1.994586 -1.403376
C -4.741489 -0.863891 0.213969
H 2.806196 2.583540 1.061680
H 2.409319 1.898200 -1.607527
H 4.712730 0.701966 1.636270
H 4.679729 -0.889190 -0.155702
H 1.933087 -1.587726 1.072853
H 3.476313 -2.468306 1.260790
H 4.842155 1.893058 -0.848597
H 2.907308 0.835430 3.065734
H 0.563606 2.960707 0.633640
H 1.902127 -2.201022 -1.130816
H -0.667544 -2.961328 -1.898018
H -2.712845 1.675265 0.617962
H -5.714702 0.971747 0.028348
H -6.776266 -0.411826 0.281537
H -5.569742 -2.640537 0.388184


