%chk=000001405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001405

0 1
 O   -4.232400      -1.891100      -1.759000    
 O   -7.644400     -0.6566000       1.460000    
 O   -5.777100      0.1632000       2.455700    
 O    6.897400     -0.3525000     -0.2336000    
 O   -4.985000       4.624300     -0.3569000    
 O   -6.190200       3.598300      -1.982600    
 N    1.714400      -2.644500      0.3867000    
 N   -4.365300     -0.6478000      0.1937000    
 N    4.703700       2.955100      0.3124000    
 N    6.747600       1.930800     -0.3538000    
 N    6.445100       4.253800     -0.4243000    
 C    2.383400      -2.088200       1.542500    
 C    2.987500     -0.7623000       1.222600    
 C   -5.754900     -0.2733000      5.9799999E-02
 C   0.3745000      -2.347400      0.1080000    
 C   -5.950900       1.023800     -0.7346000    
 C    4.294600     -0.6916000      0.7411000    
 C    4.851200      0.5550000      0.4423000    
 C    2.473900      -3.521600     -0.5034000    
 C   -2.294000      -1.752900     -0.4469000    
 C    4.110500       1.730000      0.6218000    
 C    2.242900      0.4035000       1.404000    
 C   -5.349200       2.288300     -0.1083000    
 C  -0.5120000      -2.080600       1.151300    
 C  -7.3100001E-02  -2.316900      -1.212800    
 C   -3.685100      -1.442600     -0.7360000    
 C    2.801900       1.647000       1.104700    
 C   -1.846200      -1.783300      0.8738000    
 C   -1.407300      -2.019700      -1.490200    
 C   -6.353500     -0.2326000       1.450700    
 C    6.243000      0.6733000     -7.3899999E-02
 C    5.996300       2.983900     -0.1607000    
 C   -5.580200       3.542200     -0.9239000    
 C    3.106300      -2.748500      -1.575100    
 C    3.626600      -2.118600      -2.454800    
 H    3.182100      -2.768000       1.871500    
 H    1.756400      -2.010000       2.436100    
 H   -6.250600      -1.087100     -0.4849000    
 H   -5.529400      0.8955000      -1.740300    
 H   -7.027600       1.188200     -0.8739000    
 H    4.875200      -1.601100      0.6115000    
 H    3.250100      -4.050800      6.3100003E-02
 H    1.833800      -4.310700     -0.9174000    
 H   -3.859000     -0.2465000      0.9766000    
 H    1.225500      0.3613000       1.783000    
 H   -4.267000       2.160600      4.9000001E-03
 H   -5.789800       2.459000      0.8797000    
 H  -0.2268000      -2.129400       2.196200    
 H   0.5735000      -2.511300      -2.060600    
 H    2.210100       2.546800       1.252200    
 H   -2.511800      -1.618200       1.716200    
 H   -1.736300      -1.995300      -2.526000    
 H    4.166700       3.803800      0.4418000    
 H   -8.036800     -0.6129000       2.358000    
 H    5.856400       5.065400     -0.2722000    
 H    7.381300       4.416200     -0.7790000    
 H   -5.117200       5.436000     -0.8918000    
 H    4.088600      -1.557600      -3.233100    


%chk=000001405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001405

0 1
O -4.354008 -1.406336 -1.544262
O -7.306436 0.285280 2.205638
O -5.188232 -0.103348 3.072344
O 4.588492 1.238466 3.718926
O -4.482380 4.720675 0.126653
O -5.789068 3.749648 -1.528446
N 1.858047 -3.041514 -0.471395
N -4.130480 -0.554356 0.597400
N 4.574255 2.936037 -0.017055
N 5.009066 3.092497 2.351869
N 5.410182 4.921189 0.963251
C 2.838038 -2.546971 0.513469
C 3.261212 -1.082174 0.352230
C -5.532083 -0.126218 0.622579
C 0.537528 -2.559942 -0.485628
C -5.787292 1.192640 -0.170761
C 3.689265 -0.349462 1.476832
C 4.132504 0.987990 1.358559
C 2.283139 -4.077285 -1.432948
C -2.187032 -1.636209 -0.462181
C 4.135213 1.598926 0.074246
C 3.270868 -0.451446 -0.921352
C -4.975153 2.379614 0.373951
C 0.069201 -1.664665 0.526843
C -0.385815 -2.949753 -1.507045
C -3.616551 -1.201205 -0.522197
C 3.702125 0.878607 -1.065960
C -1.263849 -1.222169 0.534656
C -1.712712 -2.496002 -1.486039
C -5.948980 0.005241 2.082045
C 4.586160 1.760699 2.564850
C 4.990979 3.616383 1.128968
C -5.152418 3.632238 -0.459521
C 2.647890 -3.574986 -2.781732
C 2.954564 -3.167228 -3.904081
H 3.737381 -3.185069 0.424076
H 2.454868 -2.699838 1.543551
H -6.155519 -0.906978 0.142691
H -5.518644 0.994936 -1.221935
H -6.867680 1.417094 -0.142822
H 3.693937 -0.784245 2.484223
H 3.154771 -4.606693 -1.006253
H 1.483192 -4.836335 -1.539020
H -3.629668 -0.539639 1.489943
H 2.929098 -1.008514 -1.800009
H -3.894985 2.134754 0.391913
H -5.245921 2.629433 1.418240
H 0.747465 -1.298633 1.300936
H -0.062293 -3.583809 -2.337006
H 3.697791 1.354524 -2.054122
H -1.560601 -0.519937 1.323225
H -2.415584 -2.788142 -2.273356
H 4.575352 3.391778 -0.930879
H -7.546119 0.366544 3.168468
H 5.429624 5.403222 0.068731
H 5.708923 5.403886 1.807802
H -4.610024 5.525838 -0.445365
H 3.215799 -2.815240 -4.885838


