%chk=000036030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036030

0 1
 O  -0.5119000      -1.315700     -0.5241000    
 O   0.4212000     -0.4636000       1.382000    
 N   -3.714700     -0.3227000      0.2836000    
 N    1.600800     -0.5637000     -0.6377000    
 C   -4.341600      0.9886000      0.2192000    
 C   -2.306000     -0.2533000      0.6785000    
 C   -1.715300      -1.573200      0.1858000    
 C   -3.726300      -1.014000      -1.004300    
 C   -2.766400      -2.165300     -0.7498000    
 C   -5.798600      0.8124000     -0.2215000    
 C   -4.286800       1.624700       1.612200    
 C   -3.588200       1.863600     -0.7896000    
 C   0.5124000     -0.7455000      0.1934000    
 C    2.860800     -1.1100000E-02 -0.3136000    
 C    3.062800       1.355300     -0.4494000    
 C    3.877000     -0.8432000      0.1349000    
 C    4.306600       1.900500     -0.1306000    
 C    5.120600     -0.2978000      0.4538000    
 C    1.980800       2.266500     -0.9314000    
 C    3.677700      -2.316500      0.2875000    
 C    5.335300       1.074100      0.3210000    
 H   -2.228400     -0.2057000       1.770700    
 H   -1.739800      0.5829000      0.2685000    
 H   -1.512800      -2.275800       1.003700    
 H   -3.334400     -0.4456000      -1.851200    
 H   -4.711400      -1.409900      -1.270300    
 H   -3.298300      -2.977000     -0.2377000    
 H   -2.344300      -2.559700      -1.679400    
 H   -6.325100      8.5199997E-02  0.4082000    
 H   -6.342400       1.761200     -0.1377000    
 H   -5.894400      0.4946000      -1.265400    
 H   -3.267600       1.872900       1.928600    
 H   -4.728200      0.9679000       2.371200    
 H   -4.854200       2.563200       1.629400    
 H   -3.594700       1.495800      -1.818400    
 H   -4.103100       2.833800     -0.8493000    
 H   -2.565000       2.126900     -0.5123000    
 H    1.495400     -0.8585000      -1.605200    
 H    4.491200       2.967100     -0.2275000    
 H    5.933100     -0.9267000      0.8080000    
 H    2.338000       3.294800      -1.054100    
 H    1.605800       1.937500      -1.906300    
 H    1.153400       2.289500     -0.2145000    
 H    4.606200      -2.826900      0.5657000    
 H    2.941500      -2.522700       1.071300    
 H    3.337400      -2.759200     -0.6545000    
 H    6.303500       1.498700      0.5696000    


%chk=000036030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036030

0 1
O -0.582248 -1.227618 0.054036
O 0.648732 -0.180281 1.775111
N -3.745201 -0.187051 0.321284
N 1.528007 -0.545634 -0.396324
C -4.372353 1.055301 -0.231809
C -2.501689 -0.024735 1.131728
C -1.740665 -1.367935 0.995476
C -3.563175 -1.354631 -0.580205
C -2.731952 -2.313400 0.296437
C -5.736392 0.679150 -0.865383
C -4.628405 2.033293 0.944107
C -3.481846 1.755163 -1.308063
C 0.560061 -0.597415 0.593929
C 2.856366 -0.016118 -0.252065
C 3.064853 1.330573 0.165924
C 3.947652 -0.867695 -0.599870
C 4.401146 1.793914 0.264960
C 5.262737 -0.356601 -0.505854
C 1.912757 2.265119 0.472397
C 3.703895 -2.297428 -1.051058
C 5.493098 0.964807 -0.065150
H -2.743729 0.186275 2.189786
H -1.840541 0.796490 0.777572
H -1.345387 -1.732957 1.957220
H -3.001294 -1.117211 -1.516516
H -4.536435 -1.789553 -0.865022
H -3.382073 -2.780653 1.057422
H -2.215888 -3.102788 -0.273566
H -6.355245 0.128309 -0.134579
H -6.278622 1.592672 -1.169656
H -5.611379 0.049225 -1.764578
H -3.685459 2.363722 1.415655
H -5.249918 1.544827 1.715957
H -5.156064 2.934269 0.582008
H -3.289298 1.082886 -2.164415
H -3.984960 2.660384 -1.694764
H -2.507446 2.066938 -0.888394
H 1.301805 -1.063677 -1.248411
H 4.577774 2.826031 0.589559
H 6.107735 -1.004489 -0.766631
H 2.252482 3.314735 0.479171
H 1.104870 2.165346 -0.276649
H 1.466577 2.029562 1.455610
H 4.655324 -2.849188 -1.130093
H 3.050310 -2.838444 -0.341932
H 3.216434 -2.346649 -2.046170
H 6.516651 1.347562 0.012809


