%chk=000056583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056583

0 1
 O   0.2883000      -3.649400     -0.2289000    
 O   0.6658000       1.159000      -1.907500    
 O    5.198600      -2.571900     -0.5516000    
 N  -0.7475000     -0.1670000      0.3757000    
 C   0.5384000      0.4084000      0.8615000    
 C  -0.7666000      -1.626700      0.4879000    
 C   0.2954000      -2.236900     -0.4267000    
 C    1.780500     -0.4138000      0.4870000    
 C    1.662100      -1.673600     -0.1296000    
 C   -1.898600      0.3954000       1.092200    
 C   0.6736000       1.856800      0.3856000    
 C    3.065300      6.7100003E-02  0.8039000    
 C    2.821100      -2.378400     -0.4949000    
 C   -3.160800     -0.1413000      0.4857000    
 C   0.7293000       2.147400     -0.9718000    
 C   0.7395000       2.871000       1.333300    
 C    4.207600     -0.6543000      0.4582000    
 C    4.085600      -1.871500     -0.2015000    
 C   0.8527000       3.473100      -1.388400    
 C   -3.765900      0.5419000     -0.5639000    
 C   -3.715800      -1.318200      0.9773000    
 C   0.8630000       4.196600      0.9166000    
 C   0.9196000       4.497500     -0.4442000    
 C   -4.939700      4.2700000E-02  -1.128300    
 C   -4.889600      -1.817200      0.4126000    
 C   -5.501600      -1.136800     -0.6401000    
 H   0.5183000      0.3862000       1.961800    
 H   -1.682200      -2.087900      0.1184000    
 H  -0.6322000      -1.960000       1.526700    
 H   6.1600000E-02  -2.038800      -1.480400    
 H   -1.920400       1.489500       1.020900    
 H   -1.862600      0.1608000       2.164900    
 H    3.189500       1.015300       1.321100    
 H    2.733100      -3.334600      -1.006200    
 H   0.6961000       2.651800       2.396400    
 H    5.188800     -0.2571000      0.7033000    
 H  -0.5867000      -3.979900     -0.4950000    
 H   0.8980000       3.722000      -2.445200    
 H   -3.336100       1.460400     -0.9544000    
 H   -3.269900      -1.847400       1.815400    
 H   0.9149000       4.994400       1.651700    
 H    1.015700       5.529600     -0.7684000    
 H   -5.416000      0.5722000      -1.948300    
 H   -5.330800      -2.732300      0.7969000    
 H   0.7209000       1.556300      -2.793400    
 H    4.928300      -3.392400     -0.9984000    
 H   -6.416300      -1.524800      -1.078600    


%chk=000056583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056583

0 1
O 0.597110 -3.755885 -0.628365
O 0.446122 0.997378 -1.811190
O 5.440722 -2.337089 -0.815983
N -0.644018 -0.446199 0.675290
C 0.614262 0.271930 1.000368
C -0.536810 -1.913182 0.624897
C 0.432789 -2.294720 -0.510205
C 1.860649 -0.452914 0.465576
C 1.790922 -1.682390 -0.235637
C -1.836530 0.055973 1.380916
C 0.551467 1.721840 0.503564
C 3.135207 0.117414 0.706765
C 2.970878 -2.327118 -0.668915
C -3.130931 -0.218990 0.618040
C 0.480519 2.051236 -0.879184
C 0.586760 2.790295 1.430232
C 4.318023 -0.508362 0.272392
C 4.228699 -1.740736 -0.414266
C 0.446898 3.400567 -1.303175
C -3.161607 -0.103956 -0.795596
C -4.324225 -0.545708 1.306688
C 0.556278 4.143327 1.022336
C 0.487294 4.446138 -0.354945
C -4.366566 -0.306242 -1.503229
C -5.533082 -0.745302 0.600074
C -5.558192 -0.625223 -0.808279
H 0.742520 0.336336 2.114464
H -1.543986 -2.319395 0.414403
H -0.177025 -2.368855 1.580199
H 0.024784 -1.874597 -1.454867
H -1.716668 1.151329 1.490254
H -1.923828 -0.358145 2.417654
H 3.203078 1.073736 1.238722
H 2.879736 -3.295208 -1.174953
H 0.644108 2.546987 2.499114
H 5.302552 -0.070011 0.459198
H -0.262966 -4.144014 -0.928609
H 0.390359 3.634934 -2.374961
H -2.224927 0.132227 -1.314315
H -4.308192 -0.646145 2.399681
H 0.585633 4.945951 1.766137
H 0.462128 5.487201 -0.694727
H -4.380661 -0.214378 -2.595790
H -6.449688 -0.998331 1.145366
H 0.539386 1.353699 -2.730597
H 5.266626 -3.200204 -1.267151
H -6.493307 -0.782002 -1.358093


