%chk=000039667.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039667

0 1
 O   -2.084700      0.4948000      -1.910900    
 O    5.832600      0.6013000     -0.6563000    
 O   0.7990000      0.3380000      -1.347400    
 N  -7.7600002E-02  -1.469900     -0.1095000    
 N    3.316700     -0.2680000      0.3517000    
 C   -1.550400      0.3202000     -0.6134000    
 C   -2.237800     -0.7783000      0.1533000    
 C    1.097800      -2.302200     -8.2999999E-03
 C   -1.328600      -1.801300      0.4285000    
 C  -0.1125000     -0.2264000     -0.7589000    
 C    1.876900      -2.060700       1.283100    
 C    2.413900     -0.6352000       1.440800    
 C   -1.546700       1.631200      9.4400004E-02
 C    3.759200       1.126500      0.4886000    
 C    4.480700      -1.164300      0.3144000    
 C   -3.556500     -0.8736000      0.5664000    
 C   -1.698400      -2.937600       1.127200    
 C    4.708700       1.482400     -0.6518000    
 C    5.414100     -0.7541000     -0.8211000    
 C  -0.9378000       1.748700       1.344700    
 C   -2.151900       2.743900     -0.4918000    
 C   -3.947000      -2.013700       1.273100    
 C   -3.025100      -3.036500       1.552100    
 C   -2.114400     -0.7279000      -2.639800    
 C  -0.9341000       2.976100       2.007500    
 C   -2.148000       3.971300      0.1710000    
 C   -2.709000     -0.4720000      -4.008200    
 C   -1.539100       4.087300       1.420600    
 H   0.8027000      -3.354800     -8.1200004E-02
 H    1.736800      -2.101900     -0.8759000    
 H    2.672800      -2.806400       1.380200    
 H    1.210000      -2.251500       2.134600    
 H    1.577000      6.6100001E-02   1.483000    
 H    2.924400     -0.5595000       2.410300    
 H    4.271900       1.270800       1.448500    
 H    2.898000       1.803900      0.4580000    
 H    4.196600      -2.202000      0.1201000    
 H    5.024700      -1.126700       1.267100    
 H   -4.271800     -8.7099999E-02  0.3516000    
 H  -0.9984000      -3.734700       1.349100    
 H    5.085400       2.501600     -0.5188000    
 H    4.205300       1.439200      -1.625400    
 H    4.935900     -0.8729000      -1.801200    
 H    6.311000      -1.381700     -0.8123000    
 H  -0.4788000      0.8963000       1.834800    
 H   -2.643400       2.699700      -1.459200    
 H   -4.975200      -2.112200       1.610900    
 H   -3.350200      -3.914700       2.103600    
 H   -1.109900      -1.136000      -2.790000    
 H   -2.744600      -1.480400      -2.156600    
 H  -0.4643000       3.065300       2.982700    
 H   -2.620600       4.836700     -0.2845000    
 H   -2.117200      0.2715000      -4.552500    
 H   -3.722800     -6.7599997E-02  -3.918500    
 H   -2.747500      -1.392000      -4.598300    
 H   -1.537600       5.042600       1.937400    


%chk=000039667-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039667

0 1
O -2.442654 0.576058 -1.838581
O 6.125274 0.504696 -0.811867
O 0.614482 0.448959 -1.435871
N -0.103089 -1.396670 -0.134605
N 3.648751 -0.403519 0.394690
C -1.770865 0.296495 -0.560455
C -2.352160 -0.891452 0.195095
C 1.169475 -2.137650 -0.079165
C -1.329320 -1.844732 0.435857
C -0.270499 -0.166883 -0.788939
C 1.904936 -1.968078 1.271975
C 2.560652 -0.571355 1.386663
C -1.760435 1.618191 0.216368
C 3.771337 0.973990 -0.151408
C 4.961241 -0.901216 0.872106
C -3.661781 -1.132812 0.629892
C -1.584757 -3.045085 1.124835
C 4.811300 0.986477 -1.282001
C 5.987120 -0.856884 -0.273859
C -1.884692 1.653216 1.627058
C -1.551787 2.827007 -0.494220
C -3.944400 -2.342183 1.318953
C -2.913256 -3.279977 1.563493
C -2.381950 -0.520528 -2.831603
C -1.813249 2.883860 2.318557
C -1.487343 4.054898 0.198288
C -3.194196 -0.058766 -4.040174
C -1.616339 4.088834 1.606945
H 0.961915 -3.203332 -0.290409
H 1.822095 -1.738504 -0.876540
H 2.685083 -2.750792 1.344809
H 1.205374 -2.128348 2.115918
H 1.793895 0.202752 1.198501
H 2.923419 -0.412039 2.430786
H 4.081006 1.705489 0.636199
H 2.790273 1.278869 -0.557538
H 4.856290 -1.944774 1.226754
H 5.342171 -0.287295 1.727961
H -4.448809 -0.396438 0.435602
H -0.796407 -3.779025 1.318838
H 4.989326 2.010345 -1.649630
H 4.456173 0.344890 -2.116801
H 5.665694 -1.549589 -1.082279
H 6.993135 -1.138986 0.079684
H -2.047283 0.725270 2.186001
H -1.453331 2.789474 -1.581925
H -4.962224 -2.549432 1.665222
H -3.141509 -4.207163 2.101196
H -1.324433 -0.706528 -3.111170
H -2.805875 -1.448105 -2.393845
H -1.915248 2.900750 3.409586
H -1.333442 4.985214 -0.359996
H -2.773121 0.872446 -4.456643
H -4.243337 0.131556 -3.755227
H -3.178704 -0.833190 -4.828808
H -1.563722 5.043195 2.143223


