%chk=000116300.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116300

0 1
 O   -4.233900      0.9218000       1.369900    
 O   -1.118100     -0.9404000      -1.980500    
 O   0.5103000      -2.577800      0.4308000    
 O   0.2953000       1.964400      -1.104700    
 O    4.244700      0.3253000      0.9950000    
 N   -2.053800     -0.2895000      5.9200000E-02
 C   -1.919600      0.1906000       1.440000    
 C   -3.427500     -0.5814000     -0.3472000    
 C   -2.903000       1.325400       1.701200    
 C   -4.339400      0.5913000     -1.7600000E-02
 C   -1.001700     -0.5380000     -0.8239000    
 C   0.3697000     -0.3121000     -0.3482000    
 C    1.074600      -1.348200      0.2638000    
 C   0.9663000      0.9382000     -0.5090000    
 C    2.376900      -1.134000      0.7152000    
 C    2.268500       1.152500     -5.7599999E-02
 C    2.974000      0.1163000      0.5546000    
 C   0.6941000      -3.522700     -0.6212000    
 C   0.4286000       2.090700      -2.518600    
 C    4.794000       1.627300      0.7988000    
 H  -0.9028000      0.5163000       1.666900    
 H   -2.153200     -0.6645000       2.085200    
 H   -3.735400      -1.469500      0.2171000    
 H   -3.481200     -0.8212000      -1.413300    
 H   -2.888100       1.598300       2.760900    
 H   -2.641900       2.218800       1.121300    
 H   -4.091200       1.473500     -0.6196000    
 H   -5.381400      0.3273000     -0.2224000    
 H    2.927600      -1.940300       1.193200    
 H    2.678200       2.145700     -0.2093000    
 H   0.3796000      -3.114300      -1.585900    
 H   8.4899999E-02  -4.403300     -0.4000000    
 H    1.743900      -3.828700     -0.6720000    
 H   0.1691000       1.159100      -3.029600    
 H    1.451700       2.382700      -2.775400    
 H  -0.2531000       2.875700      -2.857400    
 H    4.235600       2.387800       1.355100    
 H    4.881400       1.871300     -0.2653000    
 H    5.809700       1.614500       1.207700    


%chk=000116300-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116300

0 1
O -4.146812 1.303536 1.110633
O -1.216008 -1.267307 -1.892852
O 0.691829 -2.735869 0.417509
O 0.127386 1.977645 -0.824280
O 4.367558 0.305431 1.007830
N -2.059805 -0.385318 0.089177
C -1.924826 0.235252 1.423197
C -3.461327 -0.609276 -0.328536
C -2.735424 1.547280 1.462294
C -4.241575 0.718109 -0.238340
C -1.017970 -0.723622 -0.751562
C 0.384326 -0.406990 -0.277870
C 1.221781 -1.437120 0.233991
C 0.930942 0.895555 -0.375818
C 2.538709 -1.174752 0.650427
C 2.251276 1.186685 0.032785
C 3.051706 0.142283 0.556246
C 0.790943 -3.615592 -0.774156
C -0.062554 2.033785 -2.294233
C 4.944166 1.651384 0.942254
H -0.863518 0.429555 1.641456
H -2.319389 -0.466901 2.184678
H -3.922598 -1.359685 0.343358
H -3.450997 -1.005520 -1.357815
H -2.756780 1.968531 2.480648
H -2.285562 2.279655 0.759472
H -3.847793 1.437360 -0.988905
H -5.317732 0.555029 -0.413054
H 3.155429 -1.973976 1.069025
H 2.604089 2.216948 -0.056899
H 0.240691 -3.172789 -1.623787
H 0.330613 -4.567806 -0.469778
H 1.853029 -3.778366 -1.042745
H -0.503947 1.095399 -2.676048
H 0.906811 2.220135 -2.795554
H -0.744374 2.879667 -2.470531
H 4.367475 2.365919 1.560866
H 4.991884 2.017338 -0.101735
H 5.961749 1.547304 1.345852


