%chk=000127464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127464

0 1
 O    2.096100       1.619300     -0.9583000    
 O    4.424600      4.7200002E-02   1.231100    
 O    6.346600      0.5827000      8.5100003E-02
 N   -2.993700      -1.730800      0.2473000    
 N   0.6346000      -1.525400     -0.3841000    
 N    3.040600     -0.4976000     -0.9020000    
 C   -1.678600      2.2600001E-02 -0.1672000    
 C   -3.021000      0.4868000      6.2000002E-03
 C   -1.695700      -1.363000     -1.1100000E-02
 C   -3.817700     -0.6297000      0.2635000    
 C  -0.4528000      0.6489000     -0.4418000    
 C   -3.632700       1.757300     -3.2600001E-02
 C   -5.196900     -0.5406000      0.4848000    
 C   0.6555000     -0.1820000     -0.5357000    
 C  -0.5449000      -2.133000     -0.1192000    
 C   -5.010900       1.862200      0.1866000    
 C   -5.779400      0.7289000      0.4416000    
 C    1.961400      0.3903000     -0.8193000    
 C    4.401400     -8.0700003E-02  -1.153800    
 C    5.174400      0.2222000      0.1082000    
 C    5.089300      0.3144000       2.470500    
 H   -3.301800      -2.680500      0.4041000    
 H  -0.3941000       1.723800     -0.5709000    
 H   -3.046900       2.650500     -0.2301000    
 H   -5.796200      -1.422800      0.6832000    
 H  -0.5331000      -3.208600     -2.3000001E-03
 H   -5.485200       2.839500      0.1574000    
 H   -6.848400      0.8320000      0.6094000    
 H    2.869900      -1.488700     -0.7570000    
 H    4.898400     -0.9019000      -1.677800    
 H    4.392500      0.8165000      -1.779700    
 H    5.411800       1.359200       2.509500    
 H    5.942200     -0.3594000       2.595700    
 H    4.378800      0.1360000       3.282100    


%chk=000127464-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127464

0 1
O 1.798349 1.985112 -1.503298
O 4.979790 -0.761269 0.986670
O 6.626029 0.498725 -0.077701
N -2.997162 -1.289917 1.179894
N 0.672677 -0.646328 0.743660
N 2.951596 0.468386 -0.155798
C -1.877650 0.253455 -0.118054
C -3.308594 0.435865 -0.323160
C -1.725564 -0.827852 0.822559
C -3.974289 -0.539597 0.498103
C -0.711460 0.870839 -0.615011
C -4.076899 1.321601 -1.115116
C -5.380261 -0.645593 0.541733
C 0.533693 0.388288 -0.157348
C -0.440312 -1.249965 1.230263
C -5.482563 1.222358 -1.076685
C -6.123592 0.249291 -0.257275
C 1.803106 1.021466 -0.667883
C 4.262740 0.963588 -0.552335
C 5.419270 0.238981 0.117688
C 6.043214 -1.522289 1.686952
H -3.187853 -2.049569 1.829484
H -0.718499 1.697513 -1.330981
H -3.588844 2.070994 -1.747300
H -5.882980 -1.390098 1.168121
H -0.290177 -2.068020 1.943674
H -6.093361 1.899514 -1.682645
H -7.217766 0.194059 -0.246850
H 2.859872 -0.304865 0.513122
H 4.402685 0.884284 -1.649134
H 4.363725 2.044439 -0.328178
H 6.658808 -0.839511 2.295659
H 6.686328 -2.035837 0.953158
H 5.504043 -2.242446 2.317413


