%chk=000013783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013783

0 1
 O    1.237200     -0.3532000     -0.7573000    
 O    3.386000     -0.6232000     -0.1510000    
 O   -1.084600      -3.684000     -0.5456000    
 O   0.8714000      -2.772200     -0.9477000    
 O   -4.600800       1.205600      0.9458000    
 O   -4.829400     -0.9688000      0.7485000    
 O    1.775200     -0.6144000       1.497600    
 N  -0.3359000      -2.681400     -0.6223000    
 N   -4.129900      7.1099997E-02  0.6894000    
 C   0.2131000       2.230300     -0.1864000    
 C  -0.6378000      0.9741000     -0.1131000    
 C  -0.3027000       3.257000      -1.215400    
 C   0.3252000       2.886500       1.195100    
 C  -7.7600002E-02 -0.2552000     -0.4037000    
 C   -1.966200       1.103500      0.2480000    
 C  -0.4126000       2.687900      -2.624800    
 C  -0.8745000      -1.397700     -0.3311000    
 C   -2.763000     -3.9000001E-02  0.3206000    
 C   -2.217200      -1.289700      3.1099999E-02
 C    4.406400     -0.1554000      0.7371000    
 C    2.110500     -0.5394000      0.3222000    
 C    4.141100       1.302200       1.081400    
 C    5.765900     -0.3447000      8.1600003E-02
 H    1.235900       1.980800     -0.4917000    
 H   0.3842000       4.112500      -1.239700    
 H   -1.280200       3.655700     -0.9184000    
 H  -0.6344000       3.278100       1.549100    
 H    1.030200       3.724600       1.164200    
 H   0.6908000       2.172700       1.941600    
 H   -2.377500       2.084000      0.4695000    
 H   -1.179400       1.910300      -2.691100    
 H   0.5419000       2.263300      -2.951700    
 H  -0.6868000       3.481500      -3.327400    
 H   -2.841100      -2.178600      8.8799998E-02
 H    4.384500     -0.7629000       1.650600    
 H    4.970200       1.723800       1.659200    
 H    3.233800       1.431000       1.678400    
 H    4.012100       1.901900      0.1734000    
 H    6.576300     -1.8300001E-02  0.7404000    
 H    5.923400      -1.398600     -0.1714000    
 H    5.828000      0.2165000     -0.8573000    


%chk=000013783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013783

0 1
O 1.347619 0.116897 -0.589022
O 3.498904 -0.190711 -0.106402
O -0.571652 -3.609204 -0.537755
O 1.372192 -2.536242 -0.037014
O -4.910505 0.835185 0.399276
O -4.772779 -1.441759 0.459100
O 1.972984 -0.070844 1.680820
N 0.100942 -2.546691 -0.252859
N -4.248369 -0.270722 0.339593
C -0.119334 2.569310 -0.310384
C -0.790559 1.199513 -0.216595
C -0.859378 3.545379 -1.267203
C 0.014585 3.172384 1.117898
C -0.021794 0.004233 -0.280197
C -2.181779 1.083559 -0.006071
C -0.933385 3.054036 -2.728555
C -0.652572 -1.268350 -0.160659
C -2.780257 -0.184955 0.116811
C -2.040998 -1.374520 0.033741
C 4.673322 -0.397024 0.844092
C 2.279665 -0.075908 0.475273
C 5.101421 0.967508 1.395563
C 5.730064 -1.103822 -0.002133
H 0.898642 2.416867 -0.714601
H -0.321155 4.512758 -1.229827
H -1.879391 3.753041 -0.885033
H -0.980504 3.362466 1.562111
H 0.556586 4.134461 1.073405
H 0.564747 2.492211 1.792152
H -2.815257 1.971690 0.066784
H -1.511495 2.115738 -2.813969
H 0.077364 2.863362 -3.134757
H -1.421196 3.806312 -3.373959
H -2.522204 -2.352113 0.112615
H 4.301906 -1.047158 1.657555
H 5.975046 0.839399 2.060164
H 4.291247 1.430604 1.983828
H 5.389031 1.646320 0.573658
H 6.612887 -1.331351 0.621930
H 5.335861 -2.049167 -0.410233
H 6.051246 -0.464491 -0.842639


