%chk=000083424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083424

0 1
 O    2.566500       2.309000     -0.6563000    
 O   -2.827200      -2.671900      8.2300000E-02
 O   -2.814700       2.673800      6.7400001E-02
 O    7.334200     -3.0000001E-04   1.493500    
 N    2.990100     -8.9999998E-04 -0.7077000    
 N  -0.2582000      -2.836300     -0.2621000    
 N  -0.2438000       2.823100     -0.2758000    
 N    2.633000      -2.358700     -0.6543000    
 C   0.8466000     -0.7042000     -0.4169000    
 C   0.8472000      0.6826000     -0.4197000    
 C   -1.510400     -0.7079000     -9.8200001E-02
 C   -1.507500      0.7029000     -0.1017000    
 C  -0.3167000      -1.430000     -0.2581000    
 C  -0.3111000       1.417300     -0.2649000    
 C    2.224000      -1.139100     -0.6023000    
 C    2.225300       1.141500     -0.6066000    
 C    4.429800     -3.0000000E-03 -0.9019000    
 C   -2.778000      -1.448100      7.4699998E-02
 C   -2.771400       1.449900      6.6900000E-02
 C    5.196100     -1.3000000E-03  0.4142000    
 C   -4.036100     -0.6936000      0.2439000    
 C   -4.032900      0.7023000      0.2400000    
 C    6.707200      1.6400000E-02  0.2180000    
 C   -5.240600      -1.388400      0.4092000    
 C   -5.234300       1.403500      0.4015000    
 C   -6.435300     -0.6858000      0.5697000    
 C   -6.432100      0.7074000      0.5660000    
 C    8.750200      4.0100001E-02   1.379200    
 H    4.691500      0.8993000      -1.467600    
 H    4.718900     -0.8644000      -1.512500    
 H    4.899800      0.8632000       1.022500    
 H    4.919200     -0.8795000       1.011700    
 H   -1.094300      -3.391300     -0.1490000    
 H   0.6289000      -3.306800     -0.3821000    
 H   -1.076800       3.383400     -0.1664000    
 H   0.6457000       3.288200     -0.3987000    
 H    7.022000     -0.8627000     -0.3562000    
 H    7.003200      0.9206000     -0.3267000    
 H   -5.273200      -2.474600      0.4162000    
 H   -5.261800       2.489900      0.4026000    
 H    3.646500      -2.403200     -0.7778000    
 H   -7.369000      -1.225900      0.6979000    
 H   -7.363300       1.252300      0.6911000    
 H    9.177400      2.1600001E-02   2.385300    
 H    9.068800      0.9611000      0.8815000    
 H    9.115700     -0.8321000      0.8285000    


%chk=000083424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083424

0 1
O 2.626918 2.433255 -0.781475
O -2.813171 -2.755815 0.183316
O -2.910356 2.769628 -0.030639
O 7.406963 -0.233256 1.488573
N 3.035053 0.079034 -0.740002
N -0.219209 -2.793595 -0.176629
N -0.328344 2.869613 -0.388564
N 2.612986 -2.369515 -0.590134
C 0.859433 -0.647160 -0.408496
C 0.833773 0.748160 -0.461540
C -1.560878 -0.700780 -0.073468
C -1.587132 0.745169 -0.128598
C -0.315626 -1.433223 -0.216526
C -0.366989 1.504969 -0.327174
C 2.252787 -1.104416 -0.582155
C 2.214232 1.240696 -0.672214
C 4.490477 0.129714 -0.919161
C -2.806648 -1.463193 0.129166
C -2.858571 1.476976 0.016096
C 5.264081 -0.054397 0.407831
C -4.083585 -0.719224 0.276116
C -4.108983 0.702955 0.220702
C 6.779025 0.036074 0.194620
C -5.290878 -1.437241 0.473159
C -5.341343 1.390844 0.362660
C -6.509709 -0.747788 0.613251
C -6.535026 0.671310 0.557680
C 8.864802 -0.139034 1.430828
H 4.714774 1.119668 -1.356883
H 4.787996 -0.640071 -1.659517
H 4.953742 0.724780 1.126540
H 5.030770 -1.033071 0.867320
H -1.094373 -3.318015 -0.033949
H 0.718109 -3.203893 -0.290637
H -1.229018 3.361812 -0.281992
H 0.574130 3.330461 -0.532163
H 7.121153 -0.710744 -0.560546
H 7.065882 1.048543 -0.171915
H -5.239785 -2.529496 0.511255
H -5.329387 2.483883 0.316046
H 3.628660 -2.538467 -0.721519
H -7.440381 -1.305019 0.765254
H -7.485117 1.205290 0.667135
H 9.228259 -0.355420 2.447443
H 9.195643 0.878121 1.130156
H 9.293962 -0.878721 0.721048


