%chk=000054421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054421

0 1
 O   -9.406300     -4.2100001E-02  0.3003000    
 O   -2.113900     -0.3792000      -1.211500    
 O    3.868100       2.186800     -0.7380000    
 O    3.849300      -2.258900      0.6646000    
 N   -6.579800      7.5900003E-02  0.6152000    
 N    3.356600     -6.5099999E-02 -0.1354000    
 C   -5.285300      0.7362000      0.4607000    
 C   -7.480600      0.8826000       1.450200    
 C   -7.197300     -0.1749000     -0.6945000    
 C   -4.328200     -0.1529000     -0.3268000    
 C   -8.827900      0.1792000       1.587200    
 C   -8.551900     -0.8525000     -0.5075000    
 C   -2.961800      0.5001000     -0.4854000    
 C    1.952300     -0.1462000     -0.4114000    
 C    5.488200      0.7210000      9.0599999E-02
 C    5.488900     -0.6046000      0.4770000    
 C  -0.7711000     -0.3017000     -0.9476000    
 C    4.130000       1.076900     -0.3104000    
 C    4.128400      -1.117800      0.3434000    
 C    1.388700      -1.356900     -0.8142000    
 C    1.149400      0.9864000     -0.2777000    
 C   2.2299999E-02  -1.435000      -1.083200    
 C  -0.2171000      0.9084000     -0.5467000    
 C    6.636700       1.487600      0.1100000    
 C    6.637200      -1.238400      0.9094000    
 C    7.812500      0.8684000      0.5426000    
 C    7.812600     -0.4833000      0.9392000    
 H   -5.391600       1.708800     -3.7400000E-02
 H   -4.851500      0.9243000       1.450800    
 H   -7.630500       1.873100       1.001100    
 H   -7.050700       1.023500       2.448400    
 H   -6.607700     -0.8573000      -1.311400    
 H   -7.329900      0.7660000      -1.244100    
 H   -4.212800      -1.128200      0.1637000    
 H   -4.682800     -0.3599000      -1.341300    
 H   -8.733300     -0.7773000       2.115600    
 H   -9.519200      0.8063000       2.159100    
 H   -9.040600     -0.9844000      -1.478300    
 H   -8.449400      -1.844600     -5.0500002E-02
 H   -2.569600      0.7017000      0.5200000    
 H   -3.057000       1.443600      -1.035600    
 H    1.987700      -2.251100     -0.9561000    
 H    1.549600       1.939000      5.5300001E-02
 H  -0.4121000      -2.378100      -1.402400    
 H  -0.8025000       1.817800     -0.4520000    
 H    6.637100       2.527300     -0.1960000    
 H    6.637400      -2.278100       1.215300    
 H    8.739500       1.434900      0.5742000    
 H    8.739600     -0.9425000       1.272400    


%chk=000054421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054421

0 1
O -9.714218 0.160096 -0.232832
O -2.089156 -0.827258 -0.243652
O 3.689429 2.244871 -0.432292
O 4.168182 -2.384663 0.456911
N -6.872218 0.195574 0.405414
N 3.529085 -0.113945 -0.001905
C -5.490976 0.734622 0.406486
C -7.826924 1.141153 1.043762
C -7.356189 -0.176879 -0.950482
C -4.433466 -0.318695 0.013555
C -9.228918 0.515291 1.110601
C -8.768682 -0.777573 -0.860288
C -3.015701 0.205508 0.253726
C 2.099294 -0.270737 -0.045698
C 5.679545 0.817573 -0.073416
C 5.822379 -0.563377 0.188341
C -0.713697 -0.575606 -0.143730
C 4.223973 1.134026 -0.199261
C 4.463734 -1.184660 0.242591
C 1.527274 -1.449215 -0.594517
C 1.254906 0.748304 0.452938
C 0.132234 -1.600641 -0.635923
C -0.147107 0.603855 0.400214
C 6.793698 1.663299 -0.180405
C 7.084953 -1.151812 0.354367
C 8.077083 1.079653 -0.015406
C 8.220446 -0.306503 0.248648
H -5.396549 1.627991 -0.267230
H -5.280876 1.087247 1.436488
H -7.887290 2.107078 0.479767
H -7.475762 1.365992 2.069189
H -6.678053 -0.929791 -1.390581
H -7.376235 0.712301 -1.632137
H -4.597852 -1.234497 0.609169
H -4.521026 -0.594295 -1.053179
H -9.200991 -0.392750 1.751111
H -9.965427 1.230810 1.512223
H -9.177287 -0.980945 -1.863896
H -8.731786 -1.720500 -0.272923
H -2.831487 0.380449 1.334582
H -2.841258 1.155969 -0.294410
H 2.170341 -2.247364 -0.971226
H 1.686089 1.662193 0.867260
H -0.323278 -2.504617 -1.050406
H -0.775870 1.410593 0.786453
H 6.668759 2.731288 -0.384002
H 7.181553 -2.222872 0.557199
H 8.971560 1.706930 -0.092491
H 9.223466 -0.728671 0.372192


