%chk=000035844.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035844

0 1
 O    2.444300     -0.9948000     -0.7906000    
 O    2.558600       1.708100     -0.1504000    
 N   -2.404100      -1.474000     -0.4104000    
 N  -0.2547000     -0.7997000      0.1384000    
 C   -4.432500      0.3047000       1.391700    
 C   -4.132300       1.224100     -0.9203000    
 C   -4.978400       1.290300      0.3544000    
 C   -2.075100      0.8029000      0.5377000    
 C   -2.992400      0.6791000       1.756900    
 C   -2.685600       1.618000     -0.6050000    
 C   -3.849800      -1.288700     -0.5245000    
 C   -4.513500      -1.125200      0.8445000    
 C   -4.206200     -0.1842000      -1.521900    
 C   -1.608000     -0.5690000      5.3100001E-02
 C   0.3346000      -2.025500     -0.2953000    
 C    1.832200      -2.042000     -4.8999999E-02
 C    3.586800     -0.4512000     -0.2641000    
 C    3.637200      0.9016000      5.4299999E-02
 C    4.691800      -1.269300     -5.3800002E-02
 C    4.806200       1.442900      0.5893000    
 C    5.860700     -0.7282000      0.4815000    
 C    5.917900      0.6278000      0.8029000    
 C    2.462300       2.352100      -1.419400    
 H   -5.046500      0.3637000       2.298800    
 H   -4.533200       1.935200      -1.653100    
 H   -6.024800       1.053900      0.1246000    
 H   -4.967100       2.309200      0.7611000    
 H   -1.178000       1.344200      0.8691000    
 H   -2.585600     -4.9500000E-02   2.469100    
 H   -3.009100       1.645800       2.277600    
 H   -2.671400       2.678500     -0.3204000    
 H   -2.068800       1.531500      -1.508300    
 H   -4.222900      -2.230500     -0.9475000    
 H   -4.085100      -1.832000       1.565900    
 H   -5.574900      -1.389200      0.7450000    
 H   -5.235900     -0.3513000      -1.865400    
 H   -3.568500     -0.2503000      -2.412100    
 H   0.3640000     -7.8599997E-02  0.4986000    
 H   0.1499000      -2.153000      -1.368600    
 H  -0.1194000      -2.873100      0.2309000    
 H    2.249100      -2.999900     -0.3796000    
 H    2.029000      -1.927700       1.025400    
 H    4.663900      -2.325100     -0.3077000    
 H    4.857900       2.498300      0.8425000    
 H    6.727000      -1.362200      0.6460000    
 H    6.828300       1.049300       1.219200    
 H    1.544800       2.946800      -1.432400    
 H    2.410500       1.612000      -2.224100    
 H    3.315300       3.019800      -1.576100    


%chk=000035844-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035844

0 1
O 2.608658 -1.358961 -1.221621
O 2.403987 1.481432 -1.305129
N -1.803000 -1.365390 -0.672233
N -0.093839 -0.229765 -1.783771
C -2.664366 0.527444 1.900891
C -4.114557 0.947279 -0.125087
C -3.978262 1.183809 1.401776
C -1.534665 1.160868 -0.355487
C -1.455322 1.201910 1.198876
C -2.931039 1.634653 -0.857453
C -3.018170 -1.399436 0.182769
C -2.735070 -1.003863 1.663012
C -4.206290 -0.577268 -0.400360
C -1.184856 -0.229613 -0.912160
C 0.413440 -1.473218 -2.365178
C 1.396886 -2.208737 -1.437991
C 2.662002 -0.622548 -0.019429
C 2.639749 0.800216 -0.082514
C 2.788015 -1.260916 1.235802
C 2.742452 1.562725 1.099700
C 2.881867 -0.494080 2.418852
C 2.858644 0.918679 2.352829
C 3.487667 1.363146 -2.310703
H -2.560579 0.701345 2.991648
H -5.052469 1.417918 -0.485082
H -4.847727 0.746249 1.932878
H -3.971526 2.270699 1.622101
H -0.780099 1.871765 -0.747531
H -0.505629 0.742155 1.535101
H -1.425444 2.266894 1.509559
H -3.005312 2.728510 -0.685402
H -3.006702 1.472644 -1.950321
H -3.329708 -2.462211 0.184760
H -1.793520 -1.491528 1.983462
H -3.547951 -1.417159 2.296002
H -5.146470 -0.954304 0.053470
H -4.269097 -0.773766 -1.488685
H 0.534935 0.581435 -1.793744
H 0.916726 -1.245961 -3.323205
H -0.449539 -2.138540 -2.552756
H 1.763719 -3.138052 -1.908293
H 0.912806 -2.436771 -0.471407
H 2.818089 -2.355597 1.272536
H 2.708830 2.654163 1.018592
H 2.978723 -0.998657 3.386205
H 2.931816 1.515523 3.268049
H 3.135652 1.924942 -3.189631
H 3.660152 0.303932 -2.566909
H 4.414892 1.821607 -1.918292


