%chk=000059302.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059302

0 1
 O    2.782800       1.821800     -4.2800002E-02
 O   -4.523600       1.221300     -7.3600002E-02
 O    7.563800     -0.9238000      0.2618000    
 N   -8.844700      -2.267900      0.3599000    
 C  -0.8288000      0.9192000     -0.6867000    
 C   0.3792000       1.626100     -6.4900003E-02
 C   -2.138700       1.434600     -9.3500003E-02
 C    1.696700       1.151100     -0.6655000    
 C   -3.343100      0.7078000     -0.6747000    
 C    3.970000       1.140200      3.2699998E-02
 C   -5.587300      0.3631000      3.3000000E-02
 C    4.300900      0.2048000     -0.9478000    
 C    4.846900       1.381900       1.090300    
 C   -5.762800     -0.6499000     -0.9098000    
 C   -6.493500      0.5025000       1.084200    
 C    6.385700     -0.2467000      0.1866000    
 C    5.508700     -0.4885000     -0.8709000    
 C    6.054700      0.6885000       1.167200    
 C   -6.844700      -1.523500     -0.8012000    
 C   -7.575400     -0.3712000       1.192500    
 C   -7.751000      -1.384300      0.2499000    
 C    7.593600      -2.238900     -0.2907000    
 C    8.610800      -3.068100      0.4640000    
 H  -0.8295000       1.078200      -1.771800    
 H  -0.7455000     -0.1611000     -0.5174000    
 H   0.3953000       1.460700       1.019800    
 H   0.2931000       2.711500     -0.2003000    
 H   -2.240300       2.512000     -0.2746000    
 H   -2.134400       1.313000      0.9971000    
 H    1.753500      6.4999998E-02 -0.5142000    
 H    1.714300       1.365800      -1.740400    
 H   -3.218500     -0.3637000     -0.4708000    
 H   -3.392300      0.8686000      -1.757900    
 H    3.662200      1.2300000E-02  -1.804900    
 H    4.594100       2.109000       1.857100    
 H   -5.096600     -0.7756000      -1.758100    
 H   -6.361300       1.289700       1.821400    
 H    5.743700      -1.183200      -1.671900    
 H    6.733700      0.8807000       1.993400    
 H   -6.974500      -2.305500      -1.545200    
 H   -8.274600     -0.2524000       2.016300    
 H    7.875500      -2.178900      -1.347700    
 H    6.623600      -2.743300     -0.1970000    
 H   -8.973000      -3.002200     -0.3235000    
 H   -9.502400      -2.166900       1.121500    
 H    9.602900      -2.608400      0.4052000    
 H    8.349800      -3.125900       1.526000    
 H    8.667800      -4.082300      5.8800001E-02


%chk=000059302-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059302

0 1
O 2.712059 0.926838 0.751804
O -4.668262 0.828540 0.442143
O 8.118439 -0.470542 -0.040372
N -9.922929 -0.851208 -0.858100
C -0.948963 0.061467 0.138101
C 0.304115 0.822909 0.626942
C -2.258012 0.788066 0.521410
C 1.601750 0.113917 0.231789
C -3.500096 0.041430 0.027549
C 4.023033 0.480468 0.495697
C -5.942879 0.337329 0.078322
C 4.353251 -0.692670 -0.219924
C 5.057730 1.302992 1.013313
C -6.175864 -0.854045 -0.649232
C -7.044341 1.125544 0.490635
C 6.739150 -0.221386 0.096298
C 5.711936 -1.043787 -0.420456
C 6.402301 0.955562 0.815646
C -7.497673 -1.246793 -0.959285
C -8.358398 0.733651 0.181895
C -8.611058 -0.463595 -0.551685
C 8.521708 -1.677849 -0.781838
C 10.048151 -1.708388 -0.781766
H -0.902437 -0.059910 -0.964704
H -0.952956 -0.962302 0.567804
H 0.276520 0.930515 1.727992
H 0.313920 1.845665 0.204287
H -2.263210 1.808680 0.093423
H -2.321837 0.900460 1.620582
H 1.646817 -0.906486 0.669646
H 1.685135 0.027088 -0.873029
H -3.553637 -0.976761 0.470840
H -3.485581 -0.059650 -1.079556
H 3.575105 -1.344509 -0.627982
H 4.783413 2.207082 1.565275
H -5.346461 -1.486125 -0.981080
H -6.849852 2.044347 1.053055
H 5.943307 -1.955843 -0.978405
H 7.210569 1.579609 1.208807
H -7.663110 -2.172761 -1.524066
H -9.198992 1.357566 0.510061
H 8.120819 -1.629724 -1.816298
H 8.101856 -2.577216 -0.283961
H -10.106347 -1.701650 -1.380660
H -10.713423 -0.287423 -0.562665
H 10.454577 -0.806824 -1.271038
H 10.435533 -1.746645 0.250637
H 10.411925 -2.598435 -1.326950


