%chk=000129318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129318

0 1
 O    3.711300     -2.6900001E-02  0.3561000    
 O   -4.406300      9.2100002E-02  -1.766600    
 N   -5.178400     -2.7000001E-03  0.3820000    
 N   -2.352500     -8.9299999E-02   2.547800    
 C    2.437800       2.499100      8.0799997E-02
 C    2.388300      -2.522900      3.4699999E-02
 C    1.714100       1.204500     -9.3699999E-02
 C    1.690200      -1.211400     -0.1146000    
 C    2.382100     -1.1500000E-02  5.0999999E-02
 C   0.3543000       1.220800     -0.4038000    
 C   0.3303000      -1.195100     -0.4248000    
 C  -0.3376000      2.1000000E-02 -0.5694000    
 C    1.882200       3.328700       1.252900    
 C    2.443200       3.346500      -1.204800    
 C    2.377200      -3.345300      -1.266900    
 C    1.816700      -3.364000       1.190800    
 C   -1.755700      3.8100000E-02 -0.8925000    
 C   -2.779600      1.8999999E-02 -2.4000001E-03
 C   -4.175500      3.9600000E-02 -0.5603000    
 C   -2.542200     -4.0199999E-02   1.403900    
 H    3.490100       2.335000      0.3330000    
 H    3.445600      -2.360400      0.2771000    
 H  -0.1744000       2.164300     -0.5187000    
 H  -0.2169000      -2.125900     -0.5566000    
 H   0.8514000       3.653300       1.074700    
 H    2.489600       4.226700       1.410400    
 H    1.895200       2.747300       2.181600    
 H    2.863000       2.778600      -2.042500    
 H    3.054100       4.245800      -1.069400    
 H    1.436100       3.669900      -1.488800    
 H    1.364500      -3.648700      -1.553300    
 H    2.975900      -4.255400      -1.150900    
 H    2.801800      -2.767600      -2.095600    
 H    1.838100      -2.799700       2.129800    
 H    2.409400      -4.274500       1.332500    
 H   0.7809000      -3.667900       1.005400    
 H   -1.953400      7.6200001E-02  -1.961800    
 H    4.168300      0.6107000     -0.2176000    
 H   -5.013600     -4.5499999E-02   1.382100    
 H   -6.151700      8.0000004E-03  9.4599999E-02


%chk=000129318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129318

0 1
O 3.827393 -0.113369 0.089377
O -4.454978 1.497442 -0.361955
N -5.326008 -0.651257 -0.221928
N -2.767912 -2.972985 0.080306
C 2.703174 2.656373 -0.216793
C 2.295096 -2.481339 0.260276
C 1.858894 1.377561 -0.125188
C 1.644068 -1.105017 0.098981
C 2.438249 0.079412 0.017872
C 0.455148 1.456276 -0.181505
C 0.247507 -0.968647 0.036624
C -0.381305 0.304570 -0.104380
C 2.425905 3.606429 0.979165
C 2.493521 3.380590 -1.573658
C 1.903952 -3.434670 -0.900116
C 1.933281 -3.106526 1.635450
C -1.816827 0.522730 -0.177649
C -2.885542 -0.355710 -0.145030
C -4.275482 0.245945 -0.251817
C -2.780454 -1.776279 -0.021179
H 3.786797 2.402337 -0.166700
H 3.389342 -2.339673 0.230790
H -0.021119 2.438614 -0.290099
H -0.364853 -1.872023 0.099407
H 1.371638 3.937513 0.980462
H 3.063037 4.507535 0.915426
H 2.621912 3.106611 1.944449
H 2.723566 2.715014 -2.424526
H 3.142610 4.272853 -1.641255
H 1.446515 3.716512 -1.682680
H 0.817360 -3.639752 -0.908164
H 2.426191 -4.402880 -0.789047
H 2.177938 -3.006087 -1.881096
H 2.236281 -2.446163 2.467991
H 2.446698 -4.077783 1.760835
H 0.845332 -3.286398 1.719916
H -2.142867 1.569970 -0.279969
H 4.305569 0.751620 0.019952
H -5.182929 -1.657222 -0.134326
H -6.272797 -0.281826 -0.292018


