%chk=000129322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129322

0 1
 O    4.949000      -1.558600     -0.8240000    
 O    2.405000      -1.703200      -2.112200    
 O    4.942000      -1.993100       2.599700    
 O    6.789900      -1.413700       1.384800    
 O  -0.6587000      -2.556600      0.2879000    
 O    2.267000       5.618600     -0.6495000    
 N    1.566500     -0.9990000     -5.6400001E-02
 N   -1.611700      -1.521900      -1.560200    
 N   -5.468200     -0.2744000      0.7743000    
 N   -7.755800      0.3098000       1.217000    
 N   -6.250400      0.1274000       2.918700    
 C    3.744900      -2.032200     -0.2070000    
 C    4.641700      -1.041700      0.4770000    
 C    2.507500      -1.565200     -0.8989000    
 C   0.3023000     -0.4818000     -0.5164000    
 C  -0.2250000      0.6427000      0.3823000    
 C    5.577500      -1.493000       1.512800    
 C  -0.6803000      -1.647100     -0.5388000    
 C   0.4397000       1.969500      0.1076000    
 C   -2.685700      -2.464800      -1.774900    
 C   -3.951000      -2.089900      -1.009400    
 C   -4.509700     -0.7256000      -1.430900    
 C    1.597000       2.327000      0.7995000    
 C  -0.1035000       2.838500     -0.8387000    
 C   -5.768400     -0.3486000     -0.6565000    
 C    2.210900       3.553200      0.5451000    
 C   0.5103000       4.064800      -1.093100    
 C    1.667600       4.422200     -0.4011000    
 C   -6.450500      3.7000000E-02   1.561300    
 H    3.738500      -3.062100      0.1284000    
 H    4.337100     -3.5000001E-03  0.5290000    
 H   0.4393000     -0.1211000      -1.544000    
 H    1.750800     -0.9929000      0.9430000    
 H   -1.307600      0.7643000      0.2399000    
 H  -0.1059000      0.3830000       1.443000    
 H   -2.883200      -2.492800      -2.851600    
 H   -2.350600      -3.461300      -1.467000    
 H   -1.560100     -0.7221000      -2.184300    
 H   -3.728400      -2.087800      6.4300001E-02
 H   -4.710700      -2.862200      -1.179000    
 H   -3.753300      5.2299999E-02  -1.271300    
 H   -4.738600     -0.7385000      -2.503100    
 H    2.030400       1.658800       1.538900    
 H   -1.003300       2.569800      -1.385900    
 H    5.573300      -2.292400       3.288200    
 H   -6.123100      0.6226000      -1.021900    
 H   -6.545600      -1.098500     -0.8485000    
 H    3.112400       3.825800       1.087000    
 H   7.7600002E-02   4.732400      -1.833300    
 H    1.758100       6.090500      -1.330900    
 H   -8.444500      0.5440000       1.924000    
 H   -8.077500      0.2890000      0.2560000    
 H   -7.005000      0.3701000       3.551100    
 H   -5.337900     -4.6100002E-02   3.326100    


%chk=000129322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129322

0 1
O 3.826674 -2.530068 -0.101320
O 2.341334 0.842679 -0.796936
O 4.350166 -3.464658 -3.564937
O 5.969745 -2.430821 -2.242791
O -0.140575 -2.581964 1.782884
O -1.906440 5.859933 1.436631
N 1.496473 -1.028991 0.330504
N -2.012515 -1.468704 0.933335
N -3.427399 -0.050962 -0.950828
N -4.392445 1.664257 -2.343510
N -3.027693 2.229281 -0.526087
C 3.694679 -1.159096 -0.705348
C 3.601004 -2.383034 -1.585876
C 2.446447 -0.360775 -0.384853
C 0.223412 -0.412477 0.732076
C 0.429391 0.603445 1.930725
C 4.777924 -2.737312 -2.448787
C -0.679375 -1.585307 1.180195
C -0.225924 1.962668 1.750636
C -2.930721 -2.550867 1.344046
C -4.251970 -2.493014 0.545680
C -4.041436 -2.475026 -0.995671
C -1.284523 2.395817 2.592769
C 0.260340 2.865233 0.765301
C -4.249779 -1.079247 -1.631152
C -1.837974 3.690678 2.476402
C -0.283069 4.161371 0.637162
C -1.327191 4.576759 1.501818
C -3.608792 1.218900 -1.275891
H 4.627270 -0.583307 -0.738223
H 2.622365 -2.724125 -1.937879
H -0.204080 0.125438 -0.133194
H 1.685049 -1.963040 0.728843
H 0.080030 0.127767 2.864460
H 1.519895 0.745041 2.039650
H -2.421609 -3.521488 1.186827
H -3.137680 -2.480752 2.430807
H -2.425930 -0.747269 0.255990
H -4.829346 -1.597600 0.848169
H -4.852639 -3.373948 0.840437
H -3.021167 -2.833076 -1.232552
H -4.745399 -3.173210 -1.487996
H -1.671313 1.718540 3.363374
H 1.071322 2.538096 0.102588
H 5.131781 -3.677918 -4.143919
H -3.994969 -1.155096 -2.714543
H -5.333071 -0.820170 -1.569884
H -2.644309 4.029160 3.133469
H 0.120024 4.849994 -0.118095
H -1.409427 6.435886 0.803881
H -4.729465 2.622749 -2.379928
H -4.756256 0.998061 -3.017677
H -2.789115 3.124389 -0.946247
H -2.539630 1.978777 0.333563


