%chk=000125367.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125367

0 1
 O    1.144500      -2.045400     -0.4077000    
 O   0.2017000       1.264000       2.195100    
 O   -1.629500      -2.178400     -0.1344000    
 O   -3.045700      3.0400001E-02 -0.9792000    
 O   -5.249100      0.6348000     -0.6978000    
 N   -4.007800       1.427200      -2.463700    
 C  -0.2944000     -0.1482000      0.1973000    
 C  -0.3452000       1.222400      0.8677000    
 C   0.9772000     -0.9299000      0.4597000    
 C    2.075300     -0.9637000     -0.5432000    
 C   -1.536800     -0.9728000      0.6244000    
 C   0.9037000       2.016300       1.193900    
 C   -1.636400       1.983300      0.7215000    
 C   -2.850200     -0.2048000      0.4163000    
 C   -2.827500       1.131200       1.156200    
 C    1.219100      -1.198300       1.885300    
 C    3.466000      -1.324700     -0.1809000    
 C    4.369800     -0.1531000      0.1221000    
 C   -2.762700      -2.938500      0.2494000    
 C   -4.194000      0.6895000      -1.320800    
 C    5.070400      0.5945000     -0.7516000    
 C    4.997400      0.3128000      -2.228600    
 C    5.954500       1.751400     -0.3810000    
 H  -0.3580000      2.3100000E-02 -0.8866000    
 H    2.002600     -0.3552000      -1.434900    
 H   -1.474800      -1.235600       1.685900    
 H   0.8378000       3.096300       1.245200    
 H    1.868600       1.653300      0.8684000    
 H   -1.620600       2.901400       1.321600    
 H   -1.749700       2.295500     -0.3231000    
 H   -3.707700     -0.7687000      0.7997000    
 H   -3.744500       1.709800       1.008000    
 H   -2.753800      0.9364000       2.234000    
 H   0.3473000      -1.147900       2.540100    
 H    1.614500      -2.212500       2.026300    
 H    1.977400     -0.5201000       2.291900    
 H    3.896800      -1.926200     -0.9904000    
 H    3.499000      -1.996600      0.6857000    
 H    4.446100      9.9100001E-02   1.178700    
 H   -3.660900      -2.609800     -0.2815000    
 H   -2.581500      -3.972500     -6.1200000E-02
 H   -2.918000      -2.946300       1.333500    
 H    4.279500     -0.4589000      -2.512800    
 H    4.707400       1.222900      -2.765400    
 H    5.980700      5.0000002E-04  -2.596300    
 H    6.981900       1.567200     -0.7109000    
 H    5.595000       2.672900     -0.8500000    
 H    5.974200       1.912600      0.7018000    
 H   -4.757500       1.982000      -2.862700    
 H   -3.113800       1.441600      -2.942700    


%chk=000125367-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125367

0 1
O 0.785834 -1.789777 -1.260385
O 0.497933 1.355151 2.094315
O -1.985105 -1.833705 0.154666
O -3.218591 0.621606 -0.789179
O -5.110466 -0.780004 -0.550054
N -4.354546 -0.040137 -2.642047
C -0.422569 0.025422 0.055618
C -0.113722 1.396758 0.689197
C 0.748160 -0.974684 0.027828
C 1.825456 -0.728335 -1.004331
C -1.687334 -0.538875 0.759439
C 1.270616 1.912833 0.918743
C -1.258705 2.399047 0.575049
C -2.884209 0.441753 0.652154
C -2.541784 1.827258 1.217949
C 1.022849 -1.764740 1.295570
C 3.273216 -1.204049 -0.892129
C 4.128916 -0.263383 -0.062211
C -2.895835 -2.670131 0.950341
C -4.300860 -0.143056 -1.271092
C 5.099369 0.593388 -0.497192
C 5.511302 0.766367 -1.948703
C 5.866488 1.462289 0.487710
H -0.700184 0.208710 -1.002454
H 1.693769 0.162808 -1.640445
H -1.471659 -0.666712 1.846644
H 1.422136 3.000325 0.955913
H 2.147587 1.326261 0.627105
H -0.976456 3.343177 1.074619
H -1.443629 2.620129 -0.493826
H -3.775915 0.016546 1.147812
H -3.398528 2.505457 1.056701
H -2.390388 1.732775 2.310520
H 0.177234 -2.445445 1.494930
H 1.930583 -2.382141 1.203706
H 1.134659 -1.074273 2.150780
H 3.676113 -1.323316 -1.914449
H 3.274820 -2.212889 -0.439621
H 3.929382 -0.296965 1.020568
H -3.933534 -2.288175 0.910787
H -2.857579 -3.668167 0.486052
H -2.552781 -2.738511 2.005330
H 4.943912 0.123768 -2.640922
H 5.372720 1.817975 -2.269740
H 6.588172 0.538471 -2.075980
H 6.951909 1.242024 0.448386
H 5.754570 2.537457 0.242248
H 5.523596 1.308329 1.525546
H -5.093312 -0.530933 -3.137213
H -3.615309 0.436621 -3.151956


