%chk=000080834.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080834

0 1
 O  -0.2793000       2.277200     -0.3320000    
 O   -3.683600      -1.798100      0.2581000    
 N    1.768400      0.6959000     -0.6747000    
 N   -1.810000      -3.587800     -5.4499999E-02
 C  -0.5490000     -7.6899998E-02 -0.2797000    
 C   -1.438800      -1.142100     -0.1254000    
 C   0.8088000     -0.3291000     -0.5095000    
 C   -2.464600       1.569600      4.0100001E-02
 C   -3.354300      0.5045000      0.1948000    
 C  -0.9709000      -2.459300     -0.2013000    
 C   -1.029500       1.317900     -0.2030000    
 C   -2.873900     -0.8903000      0.1178000    
 C    1.270800      -1.643300     -0.5845000    
 C   0.3829000      -2.706200     -0.4310000    
 C   -2.932600       2.887000      0.1151000    
 C   -4.712100      0.7566000      0.4248000    
 C    3.142000      0.7680000     -0.3830000    
 C   -4.286600       3.133900      0.3439000    
 C   -5.174400       2.070900      0.4987000    
 C    3.673700      3.2400001E-02  0.6790000    
 C    3.981900       1.574300      -1.155100    
 C    5.036800      0.1028000      0.9672000    
 C   -1.323900      -4.928500     -0.1345000    
 C    5.344800       1.644700     -0.8670000    
 C    5.872300      0.9090000      0.1941000    
 C    5.601100     -0.6832000       2.101700    
 H    2.311400      -1.877100     -0.7928000    
 H   0.8004000      -3.705500     -0.5062000    
 H    1.404100       1.526200      -1.132200    
 H   -2.262800       3.734700     -1.6000000E-03
 H   -5.426500     -5.2700002E-02  0.5490000    
 H   -2.796800      -3.438500      0.1125000    
 H   -4.649200       4.156100      0.4018000    
 H   -6.227900       2.265900      0.6770000    
 H    3.033600     -0.5795000       1.310000    
 H    3.583800       2.151900      -1.985700    
 H  -0.5908000      -5.144800      0.6498000    
 H  -0.8950000      -5.149500      -1.117700    
 H   -2.157200      -5.624200      1.0700000E-02
 H    5.995300       2.272600      -1.468800    
 H    6.935600      0.9742000      0.4092000    
 H    5.085100      -1.643400       2.208700    
 H    6.661800     -0.9059000       1.943200    
 H    5.498400     -0.1216000       3.035600    


%chk=000080834-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080834

0 1
O -0.271231 2.374001 -0.296057
O -3.793821 -1.886254 0.126387
N 1.732364 0.789238 -0.310620
N -1.856141 -3.565022 -0.016991
C -0.569037 -0.030417 -0.158300
C -1.494909 -1.141254 -0.077261
C 0.850546 -0.277565 -0.238649
C -2.524043 1.583765 -0.033131
C -3.430567 0.488847 0.067686
C -0.997066 -2.497351 -0.105411
C -1.068602 1.349767 -0.166842
C -2.936082 -0.907902 0.039379
C 1.306574 -1.640097 -0.312712
C 0.421340 -2.704364 -0.251726
C -3.021812 2.913312 -0.010559
C -4.822336 0.738557 0.190840
C 3.144784 0.792768 -0.180824
C -4.402288 3.151040 0.114756
C -5.306367 2.059027 0.215820
C 3.846614 -0.078062 0.699667
C 3.870570 1.776334 -0.905875
C 5.252365 -0.001195 0.837385
C -1.446487 -4.966854 -0.043198
C 5.269832 1.863754 -0.761531
C 5.962566 0.978150 0.093606
C 5.990077 -0.943247 1.774549
H 2.371437 -1.834380 -0.463663
H 0.807781 -3.724384 -0.334495
H 1.218947 1.707059 -0.400764
H -2.301541 3.732726 -0.092633
H -5.493125 -0.122685 0.264317
H -2.859168 -3.277450 0.065664
H -4.782001 4.178383 0.134197
H -6.381252 2.247068 0.312575
H 3.287898 -0.786620 1.320432
H 3.333354 2.454061 -1.578321
H -0.744321 -5.211045 0.778685
H -0.964532 -5.245618 -1.001961
H -2.342506 -5.595876 0.079353
H 5.822849 2.624350 -1.323844
H 7.051606 1.052969 0.196175
H 5.292755 -1.501271 2.422872
H 6.585344 -1.684338 1.207197
H 6.692934 -0.393130 2.426430


