%chk=000097636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097636

0 1
 O    3.832600       2.594000     -0.1411000    
 O    2.057900       2.440700      -1.547200    
 O  -0.1508000      0.6964000       2.296100    
 O    4.083500      -2.962700      -1.418900    
 O    4.402400      -2.563300      0.7917000    
 N   0.6957000      0.8573000      0.1428000    
 N   -5.426200     -0.5548000      -1.001600    
 C    2.056600       1.147800      0.5167000    
 C    2.900000     -0.1179000      0.7130000    
 C    3.079600      -1.000400     -0.5289000    
 C    2.620700       2.104700     -0.5133000    
 C  -0.3088000      0.6529000       1.078800    
 C   -1.653600      0.3369000      0.5323000    
 C    3.908400      -2.242100     -0.2802000    
 C   -1.986500      0.7943000     -0.7258000    
 C   -2.526700     -0.4052000       1.300500    
 C   -4.150200     -0.2524000     -0.4822000    
 C   -3.248900      0.4964000      -1.238900    
 C   -3.789100     -0.7031000      0.7875000    
 C   -6.396600      -1.319500     -0.2813000    
 H    2.023800       1.696200       1.467000    
 H    3.894300      0.1687000       1.080000    
 H    2.449100     -0.7249000       1.509300    
 H    2.099700      -1.327100     -0.8941000    
 H    3.575300     -0.4247000      -1.318400    
 H   0.5125000      0.7189000     -0.8455000    
 H   -1.328300       1.408500      -1.331400    
 H   -2.258700     -0.7680000       2.288200    
 H   -3.521200      0.8597000      -2.226500    
 H   -4.460000      -1.289600       1.408200    
 H   -5.653900     -0.2100000      -1.927300    
 H    4.189800       3.225900     -0.8010000    
 H    4.635400      -3.759200      -1.265900    
 H   -7.303300      -1.421600     -0.8866000    
 H   -6.035600      -2.330900     -6.7100003E-02
 H   -6.685800     -0.8274000      0.6532000    


%chk=000097636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097636

0 1
O 3.942360 2.640255 0.151895
O 2.220349 2.598353 -1.403547
O 0.070231 0.073867 2.176560
O 4.171035 -2.757774 -1.624845
O 4.453252 -2.579760 0.672626
N 0.737403 0.879393 0.113047
N -5.548301 -0.628355 -0.989176
C 2.082015 1.174665 0.615622
C 2.977331 -0.094598 0.768308
C 3.177675 -0.843811 -0.559220
C 2.711850 2.196153 -0.322376
C -0.225840 0.344326 0.963288
C -1.588528 0.107767 0.397844
C 3.985666 -2.114080 -0.388503
C -1.934952 0.278636 -0.972867
C -2.603560 -0.324875 1.290812
C -4.260647 -0.393507 -0.520397
C -3.239188 0.034578 -1.426109
C -3.914390 -0.571755 0.854629
C -6.656293 -1.070567 -0.144674
H 1.999896 1.622129 1.626336
H 3.949696 0.207988 1.193937
H 2.482963 -0.747812 1.506472
H 2.201361 -1.117011 -1.003985
H 3.692033 -0.221054 -1.317640
H 0.502500 1.247567 -0.811965
H -1.187964 0.588674 -1.713929
H -2.327296 -0.462239 2.341758
H -3.481634 0.167933 -2.488034
H -4.669389 -0.902324 1.574248
H -5.726404 -0.480073 -1.980815
H 4.327878 3.302422 -0.483691
H 4.699501 -3.589462 -1.480695
H -7.561963 -1.181543 -0.763081
H -6.446596 -2.049473 0.331359
H -6.878951 -0.340133 0.658908


