%chk=000105104.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105104

0 1
 O   -4.382800      -1.873900     -0.1459000    
 O    1.342200     -0.7824000      3.9299998E-02
 N   -1.420600       1.905500      0.3832000    
 N   0.4546000      0.6947000      -1.528500    
 C   -2.976900      -1.540500     -0.1807000    
 C   -1.421600      0.4873000      5.6699999E-02
 C   -2.841800     -6.5499999E-02  0.2450000    
 C  -0.9185000      0.2653000      -1.381600    
 C   -2.477200      -1.711200      -1.619900    
 C   -1.051100      -1.203000      -1.802000    
 C   -2.300700      -2.510300      0.7953000    
 C   -3.393500      -2.789700       1.797800    
 C   -2.357600       2.668900     -0.4406000    
 C   -1.833000       2.161000       1.763000    
 C   -4.622800      -2.801700      0.9199000    
 C   -2.478100       3.986300      0.3111000    
 C   -2.129900       3.653300       1.758600    
 C   0.6815000       1.765100      -2.500000    
 C    1.503300      0.1209000     -0.7862000    
 C    2.889800      0.6853000      -1.058900    
 C    3.969000      5.6200001E-02 -0.2123000    
 C    4.279200      0.6139000       1.018300    
 C    4.630900      -1.068600     -0.6797000    
 C    5.276600      3.2400001E-02   1.801100    
 C    5.628200      -1.650100      0.1033000    
 C    5.951000      -1.099500       1.343600    
 H  -0.7646000     -2.0300001E-02  0.7690000    
 H   -3.597400      0.4548000     -0.3481000    
 H   -3.189300     -5.7000001E-03   1.279100    
 H   -1.539500      0.8316000      -2.087300    
 H   -3.147100      -1.174300      -2.305200    
 H   -2.542700      -2.763600      -1.923800    
 H  -0.7629000      -1.310500      -2.855500    
 H  -0.3763000      -1.855900      -1.239400    
 H   -1.389600      -2.125800       1.260100    
 H   -2.039900      -3.448600      0.2896000    
 H   -3.455600      -1.975000       2.527900    
 H   -3.254500      -3.725400       2.345900    
 H   -3.373300       2.281700     -0.5259000    
 H   -1.986000       2.859800      -1.451100    
 H   -1.037700       1.917300       2.475000    
 H   -2.746700       1.662900       2.092600    
 H   -5.529000      -2.515400       1.460800    
 H   -4.780700      -3.789100      0.4731000    
 H   -1.768400       4.725100     -7.9599999E-02
 H   -3.483700       4.411300      0.2261000    
 H   -2.949200       3.905400       2.439700    
 H   -1.248100       4.226400       2.069000    
 H   0.1643000       1.512200      -3.431200    
 H    1.727600       1.938800      -2.745500    
 H   0.2676000       2.692800      -2.096000    
 H    2.882200       1.767100     -0.8779000    
 H    3.141000      0.5215000      -2.113700    
 H    3.757800       1.493700       1.384300    
 H    4.385100      -1.506500      -1.642900    
 H    5.527400      0.4605000       2.767200    
 H    6.152900      -2.532000     -0.2524000    
 H    6.727200      -1.552500       1.953300    


%chk=000105104-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105104

0 1
O -4.555690 -2.085406 -0.336709
O 1.210550 -0.821910 -0.055429
N -1.469714 1.803460 0.326049
N 0.372780 0.653490 -1.650578
C -3.095157 -1.713719 -0.337225
C -1.570826 0.370484 -0.044540
C -3.004676 -0.225538 0.081621
C -1.019808 0.134302 -1.484837
C -2.574476 -1.872804 -1.779948
C -1.126548 -1.351384 -1.914625
C -2.439107 -2.685111 0.684340
C -3.590306 -3.030047 1.661576
C -2.474691 2.765050 -0.186738
C -1.329516 2.098491 1.775032
C -4.805058 -3.098955 0.714387
C -2.029987 4.090483 0.476017
C -1.456100 3.649946 1.864989
C 0.505686 1.864838 -2.480041
C 1.396802 0.148113 -0.861410
C 2.788366 0.808068 -1.029574
C 3.869955 0.255981 -0.115762
C 4.619507 1.134092 0.705533
C 4.186594 -1.126739 -0.097181
C 5.667024 0.649816 1.523412
C 5.231820 -1.614183 0.716588
C 5.978192 -0.728294 1.529456
H -0.894052 -0.172471 0.639882
H -3.709547 0.332158 -0.565580
H -3.364228 -0.108159 1.122513
H -1.646113 0.729343 -2.181541
H -3.252332 -1.312984 -2.455054
H -2.629477 -2.936684 -2.077611
H -0.786455 -1.447686 -2.963391
H -0.441860 -1.951193 -1.291166
H -1.564381 -2.244551 1.189518
H -2.099405 -3.600904 0.163834
H -3.722346 -2.225264 2.407938
H -3.420767 -3.976693 2.202962
H -3.518009 2.515027 0.128553
H -2.462794 2.810876 -1.291483
H -0.360996 1.719627 2.147601
H -2.136624 1.619861 2.384313
H -5.764245 -2.848062 1.200615
H -4.888265 -4.102591 0.247029
H -1.238916 4.566192 -0.130337
H -2.866022 4.806015 0.567315
H -2.126189 3.941974 2.692456
H -0.476105 4.122039 2.049143
H -0.092686 1.747788 -3.401617
H 1.548615 2.035495 -2.784209
H 0.139919 2.755080 -1.930995
H 2.691294 1.897952 -0.864869
H 3.099139 0.681846 -2.088172
H 4.382983 2.205915 0.706587
H 3.598288 -1.821181 -0.705232
H 6.235656 1.345333 2.151299
H 5.462027 -2.685823 0.721699
H 6.789375 -1.108798 2.160697


