%chk=000058458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058458

0 1
 O   -2.371400      0.5505000      0.3116000    
 O   -1.413400     -0.7496000      -1.321500    
 N  -0.1526000      0.5119000      0.1573000    
 N   -6.058200      0.4320000      0.3175000    
 C    1.173500      0.1475000     -0.3516000    
 C    1.223300      0.6019000      -1.850300    
 C    2.313400      0.8608000      0.4112000    
 C    1.297700      -1.385400     -0.1712000    
 C    1.068500       2.116200      -2.077800    
 C    2.111500       2.139300      0.9313000    
 C    1.465300      -2.207700      -1.285500    
 C    3.544200      0.2260000      0.5790000    
 C    1.241800      -1.944200       1.105700    
 C    1.172100       2.462900      -3.556400    
 C   -1.313700      2.7600000E-02 -0.3777000    
 C    3.140300       2.782800       1.619200    
 C    1.577000      -3.588500      -1.122700    
 C    4.572900      0.8696000       1.267000    
 C    1.353500      -3.325000       1.268400    
 C    4.371000       2.147900       1.787000    
 C    1.521100      -4.147100      0.1543000    
 C   -3.669600      0.1376000     -0.1295000    
 C   -4.718500      0.8102000      0.7418000    
 C   -6.407300     -0.8968000      0.8258000    
 C   -7.042300       1.419600      0.7674000    
 H   0.4693000      9.7599998E-02  -2.464300    
 H    2.197100      0.3155000      -2.274500    
 H   0.1053000       2.468900      -1.694500    
 H    1.859300       2.676400      -1.573600    
 H  -0.2346000       1.098900      0.9816000    
 H    1.172100       2.670400      0.8116000    
 H    1.520400      -1.830200      -2.299800    
 H    3.758400     -0.7526000      0.1609000    
 H    1.105900      -1.321700       1.986200    
 H    1.065000       3.542600      -3.701000    
 H   0.3855000       1.964400      -4.131700    
 H    2.141700       2.160200      -3.964700    
 H    2.984600       3.779600       2.021600    
 H    1.708500      -4.229400      -1.989700    
 H    5.534100      0.3792000       1.390600    
 H    1.308600      -3.760100       2.262400    
 H    5.172800       2.650100       2.320300    
 H    1.607900      -5.222300      0.2809000    
 H   -3.801400      0.4308000      -1.178400    
 H   -3.725900     -0.9533000     -5.2499998E-02
 H   -4.571500       1.893900      0.6345000    
 H   -4.538400      0.5995000       1.804500    
 H   -6.380700     -0.9421000       1.920800    
 H   -7.416500      -1.174600      0.5000000    
 H   -5.740800      -1.669600      0.4307000    
 H   -8.046700       1.146200      0.4251000    
 H   -7.062400       1.513500       1.859300    
 H   -6.825000       2.404200      0.3384000    


%chk=000058458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058458

0 1
O -2.289060 1.650855 0.556597
O -1.806168 0.198924 -1.243764
N -0.129971 1.098647 0.161518
N -5.758017 0.136798 0.592012
C 1.056036 0.348589 -0.346244
C 1.167105 0.496739 -1.903750
C 2.316702 0.973777 0.307282
C 0.911463 -1.142521 0.082127
C 1.211501 1.942829 -2.439219
C 2.378918 2.350029 0.650367
C 0.997459 -2.224902 -0.825085
C 3.477043 0.180679 0.499574
C 0.685638 -1.432425 1.454059
C 1.232951 1.967303 -3.983302
C -1.419375 0.899373 -0.272785
C 3.557520 2.909325 1.195102
C 0.856959 -3.559666 -0.376293
C 4.658649 0.740057 1.031530
C 0.545744 -2.759783 1.906625
C 4.703610 2.107286 1.389440
C 0.631300 -3.834498 0.989502
C -3.734486 1.520527 0.239187
C -4.341853 0.317602 0.986567
C -5.912924 -0.600158 -0.680616
C -6.601621 -0.428483 1.662825
H 0.300512 -0.018468 -2.355762
H 2.086675 -0.031641 -2.222938
H 0.326008 2.498078 -2.074291
H 2.102899 2.469162 -2.048963
H -0.028516 1.652139 1.013860
H 1.516985 3.003042 0.472610
H 1.157409 -2.042512 -1.891045
H 3.450376 -0.883655 0.242575
H 0.622383 -0.608533 2.175091
H 1.266761 3.003421 -4.367084
H 0.330901 1.480525 -4.398817
H 2.117515 1.432321 -4.378616
H 3.580401 3.973304 1.456643
H 0.919271 -4.382160 -1.097966
H 5.541370 0.106441 1.173660
H 0.371984 -2.958192 2.970407
H 5.617849 2.540171 1.810392
H 0.521484 -4.868188 1.336166
H -4.187362 2.464553 0.577716
H -3.852369 1.411340 -0.852427
H -4.295509 0.514004 2.073130
H -3.721947 -0.588840 0.784710
H -5.622405 -1.677530 -0.595923
H -6.965604 -0.550434 -1.012837
H -5.285013 -0.147367 -1.466081
H -7.657656 -0.432613 1.336160
H -6.327674 -1.477768 1.942231
H -6.529150 0.198501 2.569143


