%chk=000040206.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040206

0 1
 O  -0.6514000     -0.2137000     -0.6924000    
 O    2.779800     -0.2531000      0.2983000    
 O   -1.603700       2.433000      -1.215500    
 O   -1.654700       2.943400       1.028600    
 O    1.798000     -7.2800003E-02  -1.783000    
 N    6.464400     -0.1745000      0.2417000    
 C   -1.861300      -2.774600     -0.4370000    
 C   -2.544400      -1.515500     -1.4800000E-02
 C   -1.915200     -0.2788000     -0.1571000    
 C   -2.569400      0.8866000      0.2427000    
 C   -3.827500      -1.587000      0.5275000    
 C   -2.614900      -3.500900      -1.566300    
 C   -1.626500      -3.738400      0.7406000    
 C   -3.852500      0.8150000      0.7852000    
 C   -4.481600     -0.4218000      0.9276000    
 C   -4.577900       2.045800       1.222900    
 C   -1.908000       2.178300      9.2100002E-02
 C   0.4346000     -0.3013000      0.2084000    
 C    5.117100     -0.2455000      0.8063000    
 C    4.069500     -0.1633000     -0.2925000    
 C    1.720500     -0.1941000     -0.5680000    
 C    7.437600     -0.7526000       1.167600    
 C    6.815700       1.210400     -7.0200004E-02
 C  -0.9483000       3.675200      -1.492800    
 H  -0.8702000      -2.554000     -0.8490000    
 H   -4.337800      -2.538500      0.6487000    
 H   -3.596400      -3.861500      -1.240000    
 H   -2.042300      -4.367500      -1.914600    
 H   -2.769500      -2.834400      -2.422100    
 H   -1.040700      -4.605200      0.4157000    
 H   -1.074000      -3.242900       1.546500    
 H   -2.567100      -4.112100       1.159300    
 H   -5.480400     -0.4955000       1.349700    
 H   -4.118800       2.459100       2.126600    
 H   -5.628200       1.834900       1.453600    
 H   -4.575700       2.803800      0.4325000    
 H   0.4232000      -1.261900      0.7331000    
 H   0.3950000      0.5248000      0.9268000    
 H    4.966100      -1.206100       1.318100    
 H    4.943500      0.5211000       1.573300    
 H    4.200700     -0.9891000      -1.002800    
 H    4.135900      0.7857000     -0.8351000    
 H    7.213800      -1.809000       1.354500    
 H    7.455900     -0.2268000       2.129300    
 H    8.445000     -0.7203000      0.7377000    
 H    6.787000       1.856200      0.8153000    
 H    7.826800       1.259900     -0.4910000    
 H    6.153700       1.635900     -0.8305000    
 H   -1.581000       4.512900      -1.185000    
 H   1.8600000E-02   3.712300     -0.9822000    
 H  -0.7800000       3.738000      -2.571100    


%chk=000040206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040206

0 1
O -0.515207 0.023245 -0.582400
O 2.881582 -0.221520 0.531437
O -2.665143 3.248563 -0.589488
O -0.915459 2.580618 0.781732
O 1.816513 -1.556012 -1.060028
N 6.621762 -0.465207 0.558198
C -1.562543 -2.703192 -0.603213
C -2.400809 -1.491341 -0.191444
C -1.858150 -0.179933 -0.165920
C -2.650892 0.962358 0.143340
C -3.769945 -1.621793 0.148060
C -2.168912 -3.400043 -1.850276
C -1.407465 -3.709964 0.568572
C -4.031613 0.810536 0.465219
C -4.561880 -0.502936 0.474193
C -4.929273 1.985750 0.814025
C -1.974690 2.299323 0.167848
C 0.508062 -0.093458 0.466700
C 5.261908 0.041386 0.854096
C 4.201063 -0.793608 0.126995
C 1.762566 -0.713328 -0.140149
C 7.599680 -0.114612 1.608622
C 7.104116 -0.091741 -0.788282
C -2.059446 4.603006 -0.617211
H -0.558042 -2.342679 -0.888645
H -4.227207 -2.618398 0.145821
H -3.175273 -3.809375 -1.640016
H -1.522106 -4.238011 -2.169278
H -2.256053 -2.693362 -2.694543
H -0.762807 -4.554631 0.263523
H -0.950507 -3.233670 1.456121
H -2.386279 -4.124295 0.876855
H -5.616933 -0.643743 0.735379
H -4.476820 2.637686 1.583460
H -5.899763 1.628331 1.198095
H -5.112943 2.619056 -0.071183
H 0.157198 -0.752230 1.287970
H 0.720313 0.905527 0.882673
H 5.084328 -0.044615 1.941289
H 5.133357 1.119145 0.584472
H 4.249187 -1.852515 0.434731
H 4.280542 -0.741255 -0.972669
H 7.252380 -0.494874 2.585493
H 7.775676 0.986751 1.706478
H 8.569566 -0.592988 1.382598
H 7.220470 1.014369 -0.919696
H 8.085696 -0.563765 -0.970790
H 6.410341 -0.456382 -1.564844
H -1.975534 5.008307 0.405301
H -1.055578 4.558242 -1.071378
H -2.746036 5.202877 -1.230644


