%chk=000127506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127506

0 1
 O    2.333400     -7.7200003E-02 -0.8782000    
 O   0.2069000       1.473200      0.5052000    
 O   1.7600000E-02 -0.9877000      -2.085900    
 O    3.407400      0.2779000       2.500400    
 O    2.102000      -1.278000       1.465400    
 O    6.307000      -1.112100      2.7600000E-02
 O    4.337600      -1.875800     -0.8204000    
 N   -1.926900      0.6115000     -4.7100000E-02
 N   -3.865300       1.711400      4.8900001E-02
 N   -2.737500      -1.672800      0.1165000    
 N   -5.170100      -1.740400      0.3010000    
 N   -6.513400      0.2401000      0.3103000    
 C    1.426400      0.8892000      -1.432500    
 C    1.247000       1.946600     -0.3709000    
 C    2.578700       1.966800      0.3381000    
 C    3.076100      0.5308000      0.1854000    
 C   3.1300001E-02  0.3300000      -1.576900    
 C  -0.4856000      0.3883000     -0.1451000    
 C    4.563600      0.4505000     -0.1287000    
 C    2.792500     -0.2707000       1.424100    
 C   -2.899300     -0.3419000      6.8499997E-02
 C    5.013000     -0.9686000     -0.3581000    
 C   -2.557800       1.828300     -5.3700000E-02
 C   -4.092600      0.3602000      0.1259000    
 C   -5.258400     -0.3895000      0.2465000    
 C   -3.933400      -2.289900      0.2336000    
 H    1.856000       1.257800      -2.368700    
 H   0.9418000       2.921300     -0.7629000    
 H    3.249600       2.657100     -0.1877000    
 H    2.493600       2.304400       1.375400    
 H  -0.5584000      0.9738000      -2.240900    
 H  -0.2697000     -0.5300000      0.4123000    
 H    4.791500      0.9956000      -1.052900    
 H    5.153900      0.8932000      0.6822000    
 H  -0.9041000      -1.297200      -2.074700    
 H   -2.021300       2.763300     -0.1414000    
 H    3.233100     -0.2310000       3.320600    
 H    6.629900      -2.028100     -0.1096000    
 H   -3.900200      -3.373300      0.2799000    
 H   -6.582000       1.248000      0.2692000    
 H   -7.346100     -0.3265000      0.3972000    


%chk=000127506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127506

0 1
O 2.351515 -0.261030 -0.772050
O 0.226041 1.760804 0.245763
O -0.178096 -1.404924 -1.642530
O 3.634417 0.856592 2.499740
O 1.806319 -0.492130 2.015873
O 6.074442 -1.433877 -0.719761
O 4.689354 -1.760594 1.114983
N -1.871839 0.631991 0.286916
N -3.833621 1.465701 1.145062
N -2.792835 -1.330624 -0.954161
N -5.227180 -1.503680 -0.734099
N -6.512786 0.031525 0.517674
C 1.356308 0.544962 -1.522896
C 1.297284 1.905259 -0.797184
C 2.669222 2.061840 -0.131137
C 3.113326 0.591793 0.161847
C -0.073982 -0.004151 -1.378068
C -0.422244 0.445201 0.073620
C 4.619373 0.382271 -0.116841
C 2.751982 0.208861 1.619914
C -2.886583 -0.215868 -0.162621
C 5.083750 -1.031941 0.180653
C -2.496614 1.616094 1.072709
C -4.088820 0.315688 0.376658
C -5.292902 -0.379038 0.059604
C -4.008533 -1.911304 -1.188765
H 1.673385 0.602739 -2.578628
H 1.026326 2.756745 -1.444198
H 3.372845 2.532380 -0.842737
H 2.617278 2.684073 0.775449
H -0.714494 0.600887 -2.067536
H -0.010108 -0.269865 0.810255
H 4.831321 0.618952 -1.171823
H 5.206276 1.067342 0.523352
H -1.166248 -1.640767 -1.500218
H -1.921679 2.409612 1.540619
H 3.420334 0.589240 3.433513
H 6.370578 -2.357484 -0.492648
H -4.003965 -2.808464 -1.813689
H -6.579869 0.857633 1.108876
H -7.341479 -0.503841 0.266411


