%chk=000044947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044947

0 1
 O  -4.6000001E-03 -0.7800000      1.1400000E-02
 O   -2.405000      0.4869000     -0.5428000    
 O    2.384400      0.5012000     -0.5546000    
 O  -9.4999997E-03  -1.662200      -2.127700    
 O   -2.327300       1.456200       1.558100    
 O    2.341300       1.453400       1.553800    
 N   6.0000003E-04  -3.113000     -0.3098000    
 N   -4.118300      9.0300001E-02  0.9779000    
 N    4.137700      9.7900003E-02  0.9665000    
 C  -9.8000001E-03  0.4682000     -0.5371000    
 C   -1.189000       1.119900     -0.8209000    
 C    1.195500       1.110700     -0.8207000    
 C   -1.226200       2.380800      -1.373900    
 C    1.189800       2.388100      -1.380900    
 C  -2.1100000E-02   3.023100      -1.657500    
 C  -4.8000002E-03  -1.849600     -0.9116000    
 C   -2.902300      0.7403000      0.7389000    
 C    2.917100      0.7409000      0.7324000    
 C   9.8000001E-03  -3.324500       1.134000    
 C   1.0000000E-03  -4.314800      -1.131600    
 C   -4.793900     -0.7539000     -2.0000001E-03
 C   -4.786900      0.2384000       2.262800    
 C    4.810600      0.2500000       2.248700    
 C    4.810700     -0.7482000     -1.3500000E-02
 H   -2.168300       2.874600      -1.590100    
 H    2.124900       2.894400      -1.604900    
 H  -2.5400000E-02   4.017600      -2.093900    
 H   8.1000002E-03  -2.384900       1.689700    
 H  -0.8792000      -3.899700       1.408700    
 H   0.9077000      -3.890500       1.398600    
 H  -0.8884000      -4.905100     -0.8925000    
 H  -7.3000002E-03  -4.075400      -2.197900    
 H   0.8993000      -4.896300     -0.9044000    
 H   -5.782000     -0.3305000     -0.2047000    
 H   -4.907200      -1.756600      0.4208000    
 H   -4.243600     -0.8290000     -0.9416000    
 H   -4.896100     -0.7499000       2.718700    
 H   -4.221300      0.8823000       2.940900    
 H   -5.775000      0.6772000       2.096900    
 H    4.247900      0.8969000       2.926300    
 H    5.798800      0.6868000       2.078200    
 H    4.920000     -0.7367000       2.707900    
 H    5.798300     -0.3258000     -0.2207000    
 H    4.253700     -0.8206000     -0.9495000    
 H    4.923400      -1.750700      0.4093000    


%chk=000044947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044947

0 1
O -0.165095 -0.371583 0.128686
O -2.558693 0.937494 -0.588722
O 2.341400 0.787539 -0.645167
O 0.525194 -1.540178 -1.817599
O -2.367447 1.058204 1.770324
O 2.319072 1.076970 1.708509
N 0.345027 -2.605354 0.275831
N -4.065935 -0.198512 0.734695
N 3.779604 -0.445016 0.660719
C -0.104815 0.881034 -0.510820
C -1.307180 1.570958 -0.785403
C 1.129819 1.496793 -0.823305
C -1.282986 2.852411 -1.367573
C 1.166676 2.772987 -1.413781
C -0.043246 3.447785 -1.686724
C 0.274695 -1.536656 -0.589047
C -2.953296 0.614515 0.756987
C 2.780471 0.503513 0.695463
C 0.062252 -2.525903 1.719664
C 0.700724 -3.924499 -0.267855
C -4.704972 -0.703802 -0.490000
C -4.695351 -0.557560 2.014742
C 4.481459 -0.766906 1.912836
C 4.255231 -1.101272 -0.568996
H -2.231688 3.358114 -1.568229
H 2.138030 3.217309 -1.648268
H -0.019715 4.442113 -2.143284
H -0.100536 -1.481271 2.014483
H -0.840384 -3.117255 1.970391
H 0.917548 -2.935214 2.291064
H -0.112095 -4.652529 -0.081173
H 0.863197 -3.833862 -1.352281
H 1.625933 -4.302854 0.208397
H -5.706745 -0.250116 -0.625724
H -4.826815 -1.802137 -0.423606
H -4.084061 -0.463176 -1.362064
H -4.707446 -1.656894 2.145314
H -4.121008 -0.102081 2.835126
H -5.738306 -0.187609 2.052361
H 4.033174 -0.186377 2.732976
H 5.556324 -0.512911 1.833282
H 4.391840 -1.846536 2.140155
H 5.229276 -0.683756 -0.892745
H 3.522986 -0.964375 -1.375743
H 4.385985 -2.183346 -0.378199


