%chk=000000437.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000437

0 1
 O   0.1426000       2.048500      7.9999998E-04
 O    4.860800      0.2362000      1.5400000E-02
 O    3.515700      -1.596100     -1.4700000E-02
 N   -2.798200      -1.657400      6.0000001E-03
 C    1.167400     -0.1324000      1.2700000E-02
 C    2.505800      0.5971000     -1.0700000E-02
 C  -1.0600000E-02  0.8292000      4.1999999E-03
 C   -1.394000      0.2684000      1.9000000E-03
 C   -2.468700       1.118400     -5.9000002E-03
 C    3.652700     -0.3797000     -8.0000004E-03
 C   -1.573400      -1.085000      7.6000001E-03
 C   -3.745200      0.5669000     -7.7000000E-03
 C   -3.854900     -0.8142000     -1.6000000E-03
 H    1.109400     -0.7496000      0.9169000    
 H    1.098100     -0.7785000     -0.8703000    
 H    2.583300       1.217700     -0.9104000    
 H    2.598400       1.241300      0.8709000    
 H   -2.360100       2.198100     -1.0500000E-02
 H  -0.7663000      -1.807000      1.5200000E-02
 H   -4.626400       1.198200     -1.3700000E-02
 H   -4.828200      -1.293900     -2.7999999E-03
 H    5.600300     -0.4084000      2.2700001E-02


%chk=000000437-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000437

0 1
O 0.176008 2.067634 -0.022735
O 4.926919 0.321533 0.021757
O 3.655408 -1.619800 -0.033836
N -2.909557 -1.686917 0.018439
C 1.193310 -0.147319 0.006042
C 2.538480 0.591559 0.004899
C 0.005447 0.812716 -0.007021
C -1.384838 0.239812 -0.001979
C -2.494961 1.127176 -0.013516
C 3.708138 -0.369524 -0.004585
C -1.651829 -1.156320 0.013669
C -3.798675 0.597048 -0.008899
C -3.958265 -0.810434 0.007257
H 1.120351 -0.811377 0.889707
H 1.127814 -0.826254 -0.866841
H 2.622435 1.263870 -0.868643
H 2.629708 1.258105 0.881709
H -2.302589 2.205036 -0.025717
H -0.838360 -1.890509 0.022582
H -4.677062 1.249555 -0.017458
H -4.955934 -1.263894 0.011479
H 5.676551 -0.333895 0.011692


