%chk=000003324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003324

0 1
 O    3.619900       1.508000     -6.2500000E-02
 O    1.527700      -2.213000      9.4999999E-02
 O    5.268400       1.023400      -1.606900    
 O    1.390000      -4.236600       1.200700    
 N   -1.508300       1.250700      0.9952000    
 N   -2.988200       2.841500      0.5659000    
 N   -2.544900     -0.6281000     -0.1367000    
 N   -4.644600      3.7599999E-02  -1.187700    
 N   -3.849100      -2.161100      -1.330200    
 C    2.161900     -7.1000002E-02   1.062200    
 C   0.8945000      0.6695000      0.5711000    
 C  -0.3066000      0.6147000       1.522800    
 C    3.307100      0.1254000      5.3399999E-02
 C    1.926500      -1.569700       1.297500    
 C   -2.477200      0.6519000      0.2585000    
 C   -1.847200       2.558300       1.158800    
 C   -3.393000       1.659100     -7.9999998E-04
 C   -4.510600       1.314200     -0.7543000    
 C    4.627300       1.818700     -0.9333000    
 C    1.289800      -3.556800      0.1884000    
 C   -3.667800     -0.8412000     -0.8570000    
 C    4.844900       3.301500     -0.9522000    
 C   0.8796000      -4.096900      -1.148100    
 H    2.460900      0.3875000       2.014000    
 H   0.5951000      0.2664000     -0.4056000    
 H    1.135400       1.725600      0.3933000    
 H  -0.5838000     -0.4176000       1.759100    
 H  -6.5899998E-02   1.111700       2.470000    
 H    4.198700     -0.4116000      0.3996000    
 H    3.022000     -0.2638000     -0.9317000    
 H    1.165200      -1.722900       2.070000    
 H    2.857000      -2.028500       1.655300    
 H   -1.236000       3.259200       1.711200    
 H   -5.295700       2.008600      -1.023500    
 H    5.135100       3.645900      4.3600000E-02
 H    3.933400       3.805200      -1.283700    
 H    5.650100       3.541200      -1.652500    
 H    1.679400      -3.933900      -1.874700    
 H  -4.3299999E-02  -3.611400      -1.475400    
 H   0.6978000      -5.172200      -1.064900    
 H   -3.154600      -2.864000      -1.118300    
 H   -4.669800      -2.384600      -1.875900    


%chk=000003324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003324

0 1
O 3.883856 1.363197 0.287122
O 1.280075 -1.951335 -0.348993
O 5.705730 0.649434 -0.978405
O -0.168139 -3.599216 0.425476
N -1.505283 1.633493 0.586008
N -3.417979 2.579518 -0.288547
N -2.114677 -0.749720 0.428567
N -4.386944 -1.074300 -0.499400
N -3.047834 -2.890537 0.142760
C 1.936958 0.047298 0.883456
C 0.917043 1.005305 0.210936
C -0.179226 1.480419 1.205109
C 3.275989 0.009298 0.132351
C 1.362280 -1.372986 1.029378
C -2.349698 0.572945 0.259393
C -2.202403 2.809727 0.230843
C -3.536822 1.169754 -0.276430
C -4.558044 0.265924 -0.648017
C 5.125846 1.552651 -0.336852
C 0.446664 -3.050534 -0.522623
C -3.179566 -1.530165 0.025104
C 5.618938 2.965791 -0.113481
C 0.365100 -3.457653 -1.975630
H 2.151054 0.409597 1.911248
H 0.440567 0.476738 -0.633955
H 1.450949 1.879126 -0.201977
H -0.293002 0.744469 2.023300
H 0.098426 2.445303 1.664508
H 3.969707 -0.740310 0.555903
H 3.146169 -0.207878 -0.941476
H 0.344794 -1.372927 1.457906
H 2.017394 -2.028838 1.631541
H -1.766029 3.795955 0.380817
H -5.515543 0.601212 -1.060730
H 5.665840 3.188929 0.966159
H 4.919213 3.688501 -0.568637
H 6.614856 3.085127 -0.563190
H 1.171804 -3.002950 -2.568478
H -0.608250 -3.125789 -2.381929
H 0.402454 -4.556034 -2.056125
H -2.166452 -3.296304 0.471064
H -3.834714 -3.471334 -0.134372


