%chk=000135468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135468

0 1
 O    2.781200     -0.8732000      0.4123000    
 O   -2.538600      -1.295300      0.1438000    
 O    3.085400      -3.379300      4.0800001E-02
 O   -2.406300      -3.815500     -0.2323000    
 N    2.695800       1.683200      0.7995000    
 N   -2.895400       1.240100      0.5167000    
 N    4.966400       1.941200     -0.8900000    
 N   -5.426600       1.487800     -0.8017000    
 C   0.7064000      0.2378000      0.5018000    
 C  -0.6839000      0.1275000      0.4310000    
 C    1.297700       1.488700      0.7152000    
 C   -1.483000       1.268300      0.5740000    
 C   0.9243000      -2.271400      0.1284000    
 C  -0.4661000      -2.381700      5.8100000E-02
 C    1.561300     -0.9577000      0.3530000    
 C   -1.320900      -1.186300      0.2066000    
 C   0.4977000       2.622900      0.8568000    
 C  -0.8895000       2.513100      0.7865000    
 C    3.312500       2.956100      0.6018000    
 C   -3.698800       2.411600      0.6655000    
 C    4.793300       2.765800      0.2993000    
 C   -5.170200       2.044600      0.5207000    
 C    1.723300      -3.412200     -1.4500000E-02
 C   -1.057400      -3.632800     -0.1545000    
 C    1.129900      -4.656800     -0.2266000    
 C  -0.2574000      -4.767000     -0.2964000    
 C    6.388100       1.722400      -1.163600    
 C    4.316800       2.560700      -2.046600    
 C   -5.050500       2.443300      -1.845500    
 C   -6.835400       1.114000     -0.9400000    
 H   0.9074000       3.610800       1.045900    
 H   -1.454200       3.430600      0.9158000    
 H    3.282200      0.8582000      0.8329000    
 H   -3.347600      0.3499000      0.3502000    
 H    2.829200       3.548200     -0.1835000    
 H    3.231300       3.543400       1.525200    
 H   -3.568700       2.817600       1.677400    
 H   -3.418000       3.209900     -2.9500000E-02
 H    5.269700       2.275500       1.158400    
 H    5.270700       3.747500      0.1826000    
 H   -5.785900       2.934300      0.7068000    
 H   -5.430800       1.304800       1.289000    
 H    1.743500      -5.546900     -0.3387000    
 H  -0.6994000      -5.746200     -0.4619000    
 H    6.872600       1.231700     -0.3121000    
 H    6.918400       2.659200      -1.370300    
 H    6.517000       1.054800      -2.022900    
 H    3.225600       2.505000      -1.986700    
 H    4.574200       2.015700      -2.963300    
 H    4.619000       3.604900      -2.187400    
 H   -3.964900       2.537300      -1.946700    
 H   -5.488400       3.435100      -1.684200    
 H   -5.391100       2.087800      -2.826000    
 H   -7.114500      0.3778000     -0.1780000    
 H   -7.015200      0.6405000      -1.911600    
 H   -7.503500       1.978000     -0.8469000    
 H    3.402900      -2.475600      0.1846000    
 H   -2.601200      -4.756300     -0.3826000    


%chk=000135468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135468

0 1
O 2.767541 -0.686162 -0.198345
O -2.763143 -1.002774 -0.128139
O 2.994524 -3.119279 -0.483493
O -2.603807 -3.632433 -0.374542
N 2.682317 1.862205 0.166181
N -2.958589 1.530759 0.246265
N 5.461367 1.864738 -0.450652
N -5.748749 1.253595 -0.306675
C 0.651945 0.469129 0.011680
C -0.790923 0.373323 0.031300
C 1.313070 1.749128 0.158516
C -1.585246 1.568929 0.199655
C 0.790212 -2.040443 -0.294061
C -0.643968 -2.155188 -0.269397
C 1.438848 -0.736602 -0.159699
C -1.469600 -0.930393 -0.119841
C 0.486729 2.918281 0.296557
C -0.896939 2.829615 0.316367
C 3.415941 3.120465 0.286457
C -3.826021 2.694075 0.415716
C 4.912360 2.825863 0.526157
C -5.269955 2.222908 0.695814
C 1.623566 -3.203829 -0.451302
C -1.214021 -3.456307 -0.397884
C 1.021482 -4.479934 -0.577830
C -0.373201 -4.594900 -0.549494
C 6.736716 1.264653 -0.012831
C 5.519939 2.380314 -1.831929
C -5.968536 1.828671 -1.645492
C -6.881954 0.434321 0.160153
H 0.956054 3.902754 0.378445
H -1.482652 3.748442 0.412072
H 3.217886 0.986420 -0.014588
H -3.387664 0.595323 0.065415
H 3.283225 3.748963 -0.621654
H 3.044803 3.718672 1.143721
H -3.499517 3.316753 1.274563
H -3.800073 3.351539 -0.481829
H 5.026259 2.378575 1.531492
H 5.462050 3.803056 0.531127
H -5.924158 3.130500 0.772809
H -5.287170 1.719955 1.680823
H 1.667707 -5.353699 -0.695878
H -0.832411 -5.588331 -0.647245
H 6.607037 0.795677 0.978542
H 7.576015 2.002114 0.056632
H 7.036038 0.474914 -0.724304
H 4.513992 2.677676 -2.174742
H 5.874713 1.580017 -2.504336
H 6.203461 3.260086 -1.945143
H -5.042471 2.298280 -2.019750
H -6.783665 2.597027 -1.667129
H -6.236978 1.021840 -2.349570
H -6.615168 -0.063031 1.109143
H -7.094924 -0.353729 -0.583627
H -7.822591 1.020105 0.322318
H 3.210160 -2.091011 -0.375474
H -2.811463 -4.598214 -0.474447


