%chk=000168765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168765

0 1
 O   0.1046000      -2.023300      -1.567400    
 O    1.242000      -2.406100       1.732000    
 O   0.8797000      -3.983700      0.1272000    
 N   -2.043800       2.054600      0.4686000    
 N   0.6784000     -0.4373000      5.7399999E-02
 C   -2.245900     -0.4571000      5.9900001E-02
 C   -1.482400      0.7052000      0.7428000    
 C   -1.440200      -1.776300      0.2673000    
 C  -2.4700001E-02  0.6739000      0.4219000    
 C   -2.469200     -0.1484000      -1.438300    
 C   4.2800002E-02  -1.733100     -0.1760000    
 C   -3.621400     -0.6469000      0.7473000    
 C   -3.077700       1.237700      -1.647700    
 C   -2.244200       2.320900     -0.9637000    
 C   0.8079000       1.766100      0.4170000    
 C   -1.206300       3.105200       1.105200    
 C   0.2822000       3.139000      0.6627000    
 C    2.005500     -8.6499996E-02 -0.1365000    
 C    2.106200       1.298800      8.5800000E-02
 C   -4.364000      -1.809300      0.1366000    
 C   0.7546000      -2.842200      0.5448000    
 C    3.126800     -0.8490000     -0.5055000    
 C    3.358200       1.929400     -6.8800002E-02
 C    4.357400     -0.2002000     -0.6435000    
 C    4.473700       1.168700     -0.4289000    
 H   -1.555000      0.5495000       1.829900    
 H   -1.918100      -2.603400     -0.2699000    
 H   -1.484000      -2.032000       1.336300    
 H   -3.059300     -0.9075000      -1.957200    
 H   -1.505500     -0.1474000      -1.961800    
 H   -4.237500      0.2561000      0.6828000    
 H   -3.485000     -0.8396000       1.819300    
 H   -3.128300       1.449600      -2.722500    
 H   -4.109800       1.266400      -1.281300    
 H   -1.290900       2.413800      -1.497900    
 H   -2.765900       3.278300      -1.082500    
 H   -1.241200       2.942700       2.191300    
 H   -1.657000       4.093000      0.9482000    
 H   0.8803000       3.644700       1.428800    
 H   0.3718000       3.719600     -0.2635000    
 H   -4.606000      -1.680000     -0.9197000    
 H   -3.874900      -2.774500      0.2832000    
 H   -5.332500      -1.899700      0.6452000    
 H  -0.3606000      -2.861100      -1.731600    
 H    3.053100      -1.915100     -0.6924000    
 H    3.462100       2.999300      8.9699998E-02
 H    5.234700     -0.7754000     -0.9284000    
 H    5.439100       1.653600     -0.5458000    
 H    1.711800      -3.116500       2.218400    


%chk=000168765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168765

0 1
O 0.041545 -2.151092 -1.545442
O 0.777955 -2.781223 1.991090
O 1.542586 -3.756050 0.031096
N -2.064134 2.041349 0.455165
N 0.672656 -0.486303 0.095405
C -2.265444 -0.489564 0.081270
C -1.518638 0.685902 0.785767
C -1.434728 -1.777040 0.375104
C -0.042900 0.665253 0.478573
C -2.383621 -0.190169 -1.439541
C 0.035867 -1.789931 -0.130762
C -3.664340 -0.641870 0.763653
C -3.017673 1.196244 -1.691057
C -2.179030 2.294027 -1.008466
C 0.785530 1.777541 0.462264
C -1.262600 3.084515 1.158737
C 0.248691 3.164146 0.732112
C 2.005259 -0.102483 -0.189106
C 2.097772 1.319971 0.042379
C -4.643270 -1.637973 0.106888
C 0.861420 -2.881382 0.616045
C 3.112590 -0.857849 -0.632112
C 3.336741 1.976675 -0.169052
C 4.332898 -0.176688 -0.834126
C 4.445701 1.223956 -0.604965
H -1.669096 0.554500 1.880258
H -1.918410 -2.653602 -0.089708
H -1.422143 -1.931705 1.470371
H -2.966591 -0.988738 -1.933821
H -1.380443 -0.218952 -1.902944
H -4.129585 0.360375 0.808689
H -3.497236 -0.946354 1.818390
H -3.059396 1.398679 -2.778323
H -4.055670 1.231381 -1.309456
H -1.181458 2.335118 -1.509840
H -2.656980 3.284369 -1.134044
H -1.318934 2.861442 2.241650
H -1.747964 4.064706 0.995575
H 0.815882 3.674311 1.536171
H 0.363277 3.795178 -0.173376
H -4.944199 -1.311896 -0.904891
H -4.213150 -2.653151 0.019142
H -5.564304 -1.721434 0.712723
H 0.808174 -2.765993 -1.711108
H 3.051808 -1.933951 -0.819216
H 3.428868 3.055156 0.002298
H 5.208319 -0.739231 -1.177475
H 5.408777 1.718729 -0.773656
H 1.361218 -3.464402 2.420470


