%chk=000089684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089684

0 1
 O   0.1515000       1.548900     -0.6722000    
 O   -3.698000      -1.005900     -0.3562000    
 O   0.3556000      -2.931500      0.5416000    
 N   0.3189000     -0.6363000      0.1132000    
 N   -1.660700      -1.928600      0.1538000    
 C    1.760800     -0.5843000      9.2399999E-02
 C    2.270700     -0.2485000      -1.311500    
 C    2.276400      0.4189000       1.127000    
 C   -1.867400      0.5025000      0.1382000    
 C    3.792700     -0.1350000      -1.344500    
 C    3.798200      0.5331000       1.090200    
 C    4.304500      0.8640000     -0.3108000    
 C  -0.3797000      0.5392000     -0.2065000    
 C   -2.000600      0.8465000       1.632800    
 C   -2.620000       1.557600     -0.6879000    
 C   -2.509800     -0.8584000     -7.4500002E-02
 C  -0.2762000      -1.898000      0.3058000    
 C   -1.412900       2.207800       1.928800    
 C   -2.603800       1.208300      -2.159800    
 H    2.175400      -1.563500      0.3622000    
 H    1.877400      0.6862000      -1.715400    
 H    1.954600      -1.032100      -2.012100    
 H    1.960200      0.1104000       2.131400    
 H    1.865100       1.421800      0.9753000    
 H    4.120100      0.1680000      -2.345500    
 H    4.235700      -1.119700      -1.149900    
 H    4.242700     -0.4125000       1.424500    
 H    4.127900       1.305600       1.794100    
 H    5.400300      0.8704000     -0.3150000    
 H    3.977500       1.874000     -0.5872000    
 H   -1.489300      9.9200003E-02   2.253200    
 H   -3.054300      0.8285000       1.939900    
 H   -2.173900       2.553400     -0.5935000    
 H   -3.662100       1.645400     -0.3553000    
 H   -2.089400      -2.850000      0.1564000    
 H  -0.3504000       2.288000       1.690100    
 H   -1.953300       3.024300       1.443800    
 H   -1.493800       2.396300       3.006400    
 H   -1.590200       1.103400      -2.557800    
 H   -3.153800      0.2924000      -2.390700    
 H   -3.086800       2.011400      -2.728200    


%chk=000089684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089684

0 1
O 0.101416 1.689989 -0.492291
O -3.780039 -1.095633 -0.096568
O 0.453901 -2.898217 0.355611
N 0.336934 -0.558773 0.075316
N -1.634426 -1.924238 0.131526
C 1.845467 -0.487066 0.044439
C 2.381792 -0.212003 -1.382041
C 2.407172 0.510654 1.084535
C -1.951625 0.539027 0.155612
C 3.930116 -0.255255 -1.378266
C 3.955948 0.454480 1.073510
C 4.520051 0.730257 -0.341069
C -0.442024 0.606923 -0.146047
C -2.143213 0.899005 1.696105
C -2.731095 1.535296 -0.747027
C -2.548680 -0.866148 0.022628
C -0.229199 -1.850615 0.208190
C -1.686676 2.312310 2.107606
C -2.676289 1.196459 -2.251785
H 2.165018 -1.504330 0.337516
H 2.035656 0.780091 -1.722747
H 1.980757 -0.970451 -2.081608
H 2.022021 0.255523 2.091059
H 2.074015 1.535405 0.843109
H 4.307912 -0.019131 -2.391293
H 4.271977 -1.284017 -1.140705
H 4.294583 -0.546354 1.413294
H 4.355900 1.190185 1.797123
H 5.624516 0.656529 -0.331080
H 4.267689 1.768660 -0.638808
H -1.608009 0.144167 2.306436
H -3.223075 0.776557 1.905073
H -2.308012 2.540892 -0.586083
H -3.781714 1.540418 -0.404000
H -2.016625 -2.875617 0.152309
H -0.621149 2.488344 1.881494
H -2.273186 3.096411 1.599451
H -1.832511 2.438945 3.196132
H -1.636808 1.204126 -2.626409
H -3.126863 0.210035 -2.462874
H -3.241820 1.948358 -2.830772


