%chk=000121911.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121911

0 1
 O   6.6000000E-03  -2.724300      -1.918500    
 O   -4.592200       2.198400     -0.6249000    
 O   -4.956800       1.536100       1.508900    
 N    2.528800       1.798500      7.4100003E-02
 N    3.381300       3.853200      0.2146000    
 C  -7.3700003E-02  -2.300000     -0.5549000    
 C   -1.182200      -1.331000     -0.2902000    
 C    1.210800      -1.611200     -0.1308000    
 C   -1.590900     -0.4485000      -1.290300    
 C   -1.807700      -1.310300      0.9564000    
 C    2.277600      -2.358700      0.3321000    
 C    1.273700     -0.2325000     -0.2238000    
 C    2.445100      0.4207000      0.1598000    
 C   -2.624700      0.4548000      -1.043500    
 C   -2.841600     -0.4069000       1.203000    
 C   -3.250100      0.4756000      0.2029000    
 C    3.448700      -1.705600      0.7157000    
 C    3.532500     -0.3160000      0.6297000    
 C  -0.9364000     -0.4503000      -2.633000    
 C   -1.389600      -2.246000       2.043500    
 C    2.211900      -3.847400      0.4325000    
 C   -4.328100       1.417300      0.4601000    
 C    1.549000       2.651700     -0.3654000    
 C    3.610000       2.573600      0.4108000    
 C    2.098100       3.908800     -0.2688000    
 H  -0.2395000      -3.215400      1.8500000E-02
 H   0.4663000      0.3778000     -0.5734000    
 H   -2.924200       1.129500      -1.841200    
 H   -3.328500     -0.3930000       2.175200    
 H    4.304400      -2.264900       1.084900    
 H    4.468100      0.1348000      0.9427000    
 H   -1.164900      0.4866000      -3.158400    
 H   -1.346500      -1.248500      -3.260800    
 H   0.1542000     -0.4896000      -2.625900    
 H   -1.620200      -3.281900       1.774900    
 H  -0.3235000      -2.147300       2.268200    
 H   -1.922200      -2.035400       2.978100    
 H    3.187300      -4.276500      0.6880000    
 H    1.509400      -4.149000       1.216200    
 H    1.913700      -4.293400     -0.5217000    
 H  -0.7958000      -3.240700      -2.108600    
 H   0.5677000       2.356900     -0.7065000    
 H    4.546200       2.191500      0.7928000    
 H    1.634700       4.850900     -0.5231000    
 H   -5.319500       2.832800     -0.4489000    


%chk=000121911-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121911

0 1
O -0.025140 -3.003719 -1.518752
O -5.086649 1.939478 -1.123025
O -5.474577 1.407112 1.102835
N 2.812639 1.856733 0.184406
N 3.699849 3.929992 -0.117123
C -0.087027 -2.228618 -0.248178
C -1.286179 -1.278142 -0.207529
C 1.287782 -1.580794 -0.052122
C -1.687756 -0.517216 -1.353672
C -2.016761 -1.164641 1.021624
C 2.433615 -2.413948 0.148202
C 1.430652 -0.176263 -0.039504
C 2.691572 0.428173 0.167883
C -2.830632 0.312606 -1.255653
C -3.150672 -0.328096 1.080322
C -3.569567 0.405175 -0.055049
C 3.689098 -1.786698 0.338396
C 3.830859 -0.384525 0.359979
C -0.944354 -0.537309 -2.682884
C -1.594791 -1.908313 2.281196
C 2.333379 -3.927755 0.173012
C -4.775290 1.265222 0.069837
C 1.858007 2.780306 0.651493
C 3.905382 2.609929 -0.269916
C 2.423155 4.041002 0.465391
H -0.212903 -2.969046 0.569457
H 0.553540 0.456455 -0.205936
H -3.148649 0.901719 -2.121038
H -3.724592 -0.230055 2.007989
H 4.574605 -2.412815 0.496116
H 4.807953 0.069608 0.554215
H -1.093505 0.421515 -3.210393
H -1.319822 -1.341595 -3.342350
H 0.134216 -0.715344 -2.565138
H -1.693622 -3.005914 2.171196
H -0.543896 -1.699142 2.553700
H -2.225894 -1.607663 3.133848
H 3.323309 -4.387409 0.330926
H 1.668675 -4.277439 0.988219
H 1.905772 -4.306007 -0.770732
H -0.906105 -3.440385 -1.650677
H 0.918522 2.465518 1.096794
H 4.779484 2.156522 -0.729942
H 2.000921 5.011521 0.714657
H -5.897305 2.495465 -0.971082


