%chk=000153176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153176

0 1
 O   -2.564300       1.376000     -0.7491000    
 O    2.564700       1.376100      0.7474000    
 N   -2.695000      -1.230200     -0.7884000    
 N    2.695000      -1.230100      0.7885000    
 N   -5.641200     -0.1423000     -0.6263000    
 N    5.641200     -0.1422000      0.6263000    
 C  -0.6702000      6.3199997E-02 -0.1959000    
 C   0.6702000      6.3299999E-02  0.1957000    
 C   -1.340300      -1.150300     -0.3919000    
 C    1.340300      -1.150200      0.3920000    
 C   -1.389500       1.336300     -0.4057000    
 C    1.389500       1.336300      0.4056000    
 C  -0.6703000       2.609300     -0.1958000    
 C   0.6702000       2.609300      0.1956000    
 C  -0.6687000      -2.357300     -0.1956000    
 C   0.6687000      -2.357300      0.1957000    
 C   -3.370900      -2.472900     -0.9862000    
 C    3.370900      -2.472800      0.9865000    
 C   -1.340600       3.822700     -0.3913000    
 C    1.340400       3.822900      0.3915000    
 C   -4.798800      -2.245900      -1.480600    
 C    4.798800      -2.245700       1.480800    
 C  -0.6690000       5.029700     -0.1949000    
 C   0.6686000       5.029900      0.1957000    
 C   -5.651000      -1.480600     -0.4978000    
 C    5.651100      -1.480500      0.4979000    
 C   -6.367100      -2.184200      0.4456000    
 C    6.367100      -2.184100     -0.4453000    
 C   -7.142300      -1.449700       1.336000    
 C    7.142300      -1.449800      -1.336000    
 C   -6.406300      0.5379000      0.2567000    
 C    6.406300      0.5379000     -0.2568000    
 C   -7.167700     -6.2300000E-02   1.246500    
 C    7.167800     -6.2399998E-02  -1.246600    
 H   -1.135700      -3.327900     -0.3297000    
 H    1.135700      -3.327800      0.3300000    
 H   -3.188100     -0.3637000     -0.9640000    
 H    3.188000     -0.3636000      0.9642000    
 H   -3.404700      -3.047300     -5.2099999E-02
 H   -2.857000      -3.075000      -1.745700    
 H    3.404700      -3.047300      5.2299999E-02
 H    2.857100      -3.074700       1.746000    
 H   -2.383400       3.852300     -0.6956000    
 H    2.383200       3.852400      0.6959000    
 H   -4.777900      -1.692800      -2.429100    
 H   -5.269400      -3.211600      -1.704300    
 H    4.777900      -1.692400       2.429300    
 H    5.269400      -3.211300       1.704700    
 H   -1.189700       5.970900     -0.3467000    
 H    1.189000       5.971000      0.3479000    
 H   -6.337300      -3.266200      0.5066000    
 H    6.337200      -3.266200     -0.5063000    
 H   -7.724900      -1.957300       2.098800    
 H    7.725000      -1.957600      -2.098700    
 H   -6.390600       1.617100      0.1453000    
 H    6.390600       1.617000     -0.1454000    
 H   -7.764400      0.5305000       1.930300    
 H    7.764300      0.5304000      -1.930400    


%chk=000153176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153176

0 1
O -2.638212 1.320536 -0.837995
O 2.638118 1.320640 0.837983
N -2.694270 -1.262816 -0.861925
N 2.694216 -1.262741 0.862049
N -5.838807 -0.124306 -0.762265
N 5.839010 -0.124193 0.762515
C -0.689928 0.021126 -0.220019
C 0.689845 0.021150 0.220121
C -1.383288 -1.226595 -0.441626
C 1.383245 -1.226551 0.441716
C -1.400034 1.285094 -0.446356
C 1.399905 1.285146 0.446465
C -0.677636 2.561099 -0.217452
C 0.677472 2.561124 0.217516
C -0.660662 -2.450581 -0.210819
C 0.660671 -2.450559 0.210876
C -3.434112 -2.506415 -1.094506
C 3.434111 -2.506314 1.094599
C -1.347035 3.793832 -0.434126
C 1.346845 3.793881 0.434133
C -4.875108 -2.222853 -1.585700
C 4.875068 -2.222677 1.585865
C -0.676306 5.011352 -0.218539
C 0.676088 5.011377 0.218496
C -5.715682 -1.474807 -0.565325
C 5.715683 -1.474663 0.565495
C -6.312518 -2.131221 0.542318
C 6.312372 -2.131091 -0.542220
C -7.049178 -1.372434 1.477842
C 7.049090 -1.372353 -1.477735
C -6.547553 0.598267 0.152535
C 6.547817 0.598334 -0.152276
C -7.169188 0.023334 1.284002
C 7.169308 0.023387 -1.283814
H -1.162101 -3.409231 -0.370164
H 1.162148 -3.409192 0.370210
H -3.136716 -0.323787 -0.989308
H 3.136611 -0.323705 0.989517
H -3.478750 -3.112580 -0.163001
H -2.919508 -3.126801 -1.859366
H 3.478828 -3.112435 0.163068
H 2.919504 -3.126763 1.859403
H -2.387812 3.758886 -0.770209
H 2.387624 3.758973 0.770215
H -4.835252 -1.618904 -2.508873
H -5.342151 -3.195416 -1.828274
H 4.835139 -1.618675 2.509000
H 5.342137 -3.195206 1.828525
H -1.195740 5.961198 -0.387183
H 1.195502 5.961241 0.387098
H -6.201813 -3.214726 0.663514
H 6.201506 -3.214574 -0.663477
H -7.521069 -1.858128 2.338888
H 7.520865 -1.858059 -2.338837
H -6.609553 1.675381 -0.039406
H 6.609986 1.675427 0.039732
H -7.727965 0.649726 1.986402
H 7.728134 0.649745 -1.986204


