%chk=000046496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046496

0 1
 O  -0.3904000       1.096400      -1.496800    
 O    1.451600      -1.865700       1.549500    
 O   -3.065100      -1.128200       1.582600    
 N   -1.815200     -0.1119000     -0.1077000    
 N  -0.8172000      -1.529900       1.499700    
 C   0.4982000     -0.8907000     -0.4534000    
 C    1.884400     -0.2833000     -0.7203000    
 C    2.166400      0.8666000      0.2409000    
 C   0.2697000      -2.065100      -1.422300    
 C  -0.5856000      0.1484000     -0.7341000    
 C   0.4554000      -1.451000      0.9587000    
 C    3.572300       1.468500      6.0500000E-02
 C   0.3294000      -1.599700      -2.859600    
 C   -2.974200      0.6548000     -0.5491000    
 C   -1.985200     -0.9462000       1.014000    
 C    4.630800      0.3775000      0.2405000    
 C    3.845400       2.617000       1.032700    
 C   -3.127400       1.917300      0.2954000    
 C   -4.343300       2.725100     -0.1313000    
 H    2.637800      -1.071700     -0.6200000    
 H    1.976700      0.1183000      -1.734900    
 H    1.439400       1.674800      0.1026000    
 H    2.065800      0.5483000       1.284400    
 H  -0.7064000      -2.534600      -1.243900    
 H    1.019300      -2.850300      -1.260600    
 H    3.657800       1.866400     -0.9586000    
 H  -0.4174000     -0.8409000      -3.105500    
 H    1.318400      -1.243900      -3.158000    
 H   0.1139000      -2.455000      -3.511800    
 H  -0.9001000      -2.024600       2.383600    
 H   -2.859500      0.9183000      -1.607000    
 H   -3.871800      3.1700000E-02 -0.4600000    
 H    4.634000     -0.3290000     -0.5947000    
 H    4.480700     -0.1801000       1.171200    
 H    5.634400      0.8167000      0.2743000    
 H    3.802500       2.275100       2.072300    
 H    4.835200       3.051500      0.8576000    
 H    3.103600       3.412600      0.9072000    
 H   -3.225100       1.659400       1.356500    
 H   -2.230300       2.541700      0.2063000    
 H   -4.260600       3.034600      -1.178100    
 H   -5.262000       2.141000     -1.6400000E-02
 H   -4.434500       3.626200      0.4831000    


%chk=000046496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046496

0 1
O -0.560929 0.878937 -1.689107
O 1.354533 -2.325931 1.364873
O -3.074200 -1.024688 1.751009
N -1.857221 -0.128675 -0.048406
N -0.853043 -1.656409 1.487608
C 0.477440 -1.005735 -0.520160
C 1.865132 -0.326671 -0.690421
C 2.156368 0.781935 0.346371
C 0.296885 -2.196718 -1.564466
C -0.651249 0.004586 -0.785274
C 0.396774 -1.692603 0.849672
C 3.500901 1.520016 0.104460
C 0.457352 -1.809056 -3.047211
C -3.017476 0.733071 -0.420106
C -2.003380 -0.944197 1.094741
C 4.720605 0.578516 0.253183
C 3.628022 2.725333 1.066556
C -3.012297 2.084658 0.326029
C -4.217034 2.953297 -0.092458
H 2.628620 -1.121926 -0.620858
H 1.906285 0.109834 -1.703766
H 1.339632 1.532105 0.314924
H 2.169510 0.349260 1.367905
H -0.699270 -2.656925 -1.406112
H 1.051513 -2.958176 -1.289671
H 3.488645 1.910405 -0.936107
H -0.237127 -1.005001 -3.344210
H 1.482727 -1.469284 -3.272052
H 0.252551 -2.693319 -3.678307
H -0.951632 -2.193859 2.355445
H -2.956286 0.899086 -1.508509
H -3.933492 0.167561 -0.180476
H 4.706199 -0.242202 -0.486489
H 4.739846 0.123604 1.262402
H 5.665403 1.136341 0.114286
H 3.637023 2.384976 2.120376
H 4.565045 3.284284 0.885899
H 2.783316 3.429395 0.945210
H -3.045161 1.896975 1.415826
H -2.068244 2.616254 0.103463
H -4.198367 3.166810 -1.177526
H -5.174051 2.450008 0.140332
H -4.208069 3.920527 0.440623


