%chk=000019322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019322

0 1
 O  -0.1558000      0.4464000     -0.3232000    
 O  -1.1600000E-02 -0.9169000      -2.231500    
 N    1.638100       2.394000      0.6309000    
 C    2.109700       1.291900     -0.2170000    
 C   0.9756000      0.8328000      -1.108400    
 C  -0.8493000     -0.5160000      -1.134600    
 C    3.313700       1.731600      -1.061400    
 C    1.283800     -0.4158000      -1.898400    
 C    4.437400       2.272700     -0.1816000    
 C    3.911100       3.356600      0.7527000    
 C    2.689200       2.871800       1.529400    
 C   -2.116400      0.1169000      -1.695400    
 C   -1.171100      -1.732700     -0.2759000    
 C   -3.043700      0.5731000     -0.6010000    
 C   7.4699998E-02  -2.365900      0.2835000    
 C   -4.002500     -0.3014000     -0.1085000    
 C   0.7184000      -3.361900     -0.4379000    
 C   -2.926800       1.861900     -9.8899998E-02
 C   0.5630000      -1.944800       1.512700    
 C   -4.861600      0.1211000      0.9058000    
 C    1.873000      -3.948600      8.0200002E-02
 C   -3.786000       2.284400      0.9156000    
 C    1.717800      -2.531500       2.030700    
 C   -4.753400       1.413900       1.417900    
 C    2.372600      -3.533400       1.314300    
 H    2.405200      0.4639000      0.4414000    
 H   0.6431000       1.636200      -1.779700    
 H    3.011300       2.507000      -1.777500    
 H    3.702500      0.8907000      -1.646900    
 H    1.834200     -0.2022000      -2.819500    
 H    1.852700      -1.154800      -1.332800    
 H    5.243800       2.673200     -0.8056000    
 H    4.864100       1.454000      0.4110000    
 H   0.8384000       2.081700       1.181500    
 H    4.699500       3.658100       1.451400    
 H    3.645300       4.245500      0.1667000    
 H    2.974800       2.078300       2.230800    
 H    2.293500       3.699800       2.127600    
 H   -2.633100     -0.5819000      -2.366900    
 H   -1.858600      0.9753000      -2.330700    
 H   -1.719600      -2.484300     -0.8585000    
 H   -1.795400      -1.477500      0.5865000    
 H   -4.105000      -1.307400     -0.5056000    
 H   0.3379000      -3.694800      -1.399500    
 H   -2.177600       2.548700     -0.4825000    
 H   6.2899999E-02  -1.164800       2.079800    
 H   -5.616400     -0.5558000       1.295200    
 H    2.383000      -4.728500     -0.4776000    
 H   -3.701800       3.291100       1.314500    
 H    2.107600      -2.207300       2.991200    
 H   -5.422600       1.743000       2.207400    
 H    3.271900      -3.989800       1.717500    


%chk=000019322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019322

0 1
O -0.058942 0.569021 -0.294253
O -0.045164 -0.931400 -2.127120
N 1.808931 2.538179 0.515471
C 2.251281 1.366604 -0.275403
C 1.093811 0.921769 -1.174889
C -0.860934 -0.473751 -0.972266
C 3.496590 1.754244 -1.109888
C 1.317964 -0.382394 -1.962142
C 4.615080 2.316253 -0.199426
C 4.086660 3.485826 0.664755
C 2.836636 3.041440 1.453390
C -2.155474 0.122360 -1.584429
C -1.124225 -1.621684 0.034977
C -3.225339 0.523802 -0.580212
C 0.123852 -2.368351 0.470938
C -4.442822 -0.198531 -0.493193
C 0.600899 -3.472741 -0.281780
C -3.033115 1.634271 0.284271
C 0.846612 -1.973246 1.626163
C -5.444821 0.173505 0.432304
C 1.772421 -4.161960 0.104936
C -4.031213 2.008292 1.210738
C 2.017997 -2.661185 2.018466
C -5.241744 1.279344 1.289007
C 2.486145 -3.758298 1.258015
H 2.521627 0.498580 0.380698
H 0.795738 1.757253 -1.840445
H 3.200426 2.525324 -1.848710
H 3.866724 0.871093 -1.666516
H 1.722899 -0.222690 -2.973738
H 1.953079 -1.090026 -1.395264
H 5.475502 2.644519 -0.812985
H 4.983828 1.508198 0.466129
H 0.910557 2.340763 0.976794
H 4.869140 3.834909 1.365594
H 3.810125 4.336274 0.012153
H 3.148324 2.266661 2.201227
H 2.412836 3.894631 2.014499
H -2.552992 -0.632216 -2.288174
H -1.839560 0.993350 -2.188751
H -1.839856 -2.315682 -0.444639
H -1.638039 -1.175341 0.905055
H -4.609879 -1.054032 -1.159905
H 0.055166 -3.782708 -1.180301
H -2.093855 2.195128 0.225534
H 0.487678 -1.120988 2.214686
H -6.380586 -0.394983 0.482275
H 2.125736 -5.013419 -0.488075
H -3.868761 2.870019 1.868517
H 2.560692 -2.345726 2.917161
H -6.017881 1.572524 2.005002
H 3.391744 -4.295185 1.562949


