%chk=000050785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050785

0 1
 O   0.6016000     -0.5024000      4.8000000E-02
 O    1.686300      -2.527900      0.1906000    
 N   -3.063000     -0.8260000     -1.6400000E-02
 N    6.445800       1.759700      0.1568000    
 C   -4.172300      0.1097000     -5.7399999E-02
 C   -4.233000       1.006500       1.173200    
 C   -5.529400     -0.5829000     -2.3200000E-02
 C   -5.656600       1.556300       1.148600    
 C   -6.492500      0.5319000      0.3764000    
 C   -1.784800     -0.1263000     -6.1099999E-02
 C   -1.658600      0.7209000      -1.341400    
 C  -0.6590000      -1.161300      3.3399999E-02
 C   -1.739000     -9.5500000E-02  -2.625600    
 C    1.695800      -1.308200      0.1299000    
 C    2.942600     -0.5021000      0.1381000    
 C    4.045800     -0.9867000      0.8106000    
 C    2.960200      0.7063000     -0.5280000    
 C    5.217500     -0.2299000      0.8174000    
 C    4.131900       1.463100     -0.5214000    
 C    5.260600      0.9950000      0.1514000    
 H   -4.174400      0.7120000     -0.9721000    
 H   -3.500500       1.819300       1.156100    
 H   -4.080700      0.4309000       2.095300    
 H   -5.551300      -1.373300      0.7381000    
 H   -5.797500      -1.036400     -0.9829000    
 H   -6.040200       1.714400       2.161600    
 H   -5.684800       2.522400      0.6316000    
 H   -6.923800       1.001800     -0.5150000    
 H   -7.321400      0.1456000      0.9780000    
 H   -3.116500      -1.395400      0.8279000    
 H   -1.669100      0.5457000      0.7982000    
 H  -0.6858000       1.230200      -1.332400    
 H   -2.384800       1.539300      -1.370800    
 H  -0.6951000      -1.880600     -0.7932000    
 H  -0.7627000      -1.724600      0.9705000    
 H   -2.675000     -0.6567000      -2.698900    
 H   -1.692100      0.5770000      -3.489100    
 H  -0.9025000     -0.7935000      -2.720200    
 H    4.023500      -1.937300       1.335200    
 H    2.099900       1.086400      -1.070700    
 H    6.090400     -0.6053000       1.345500    
 H    4.154200       2.414400      -1.046800    
 H    6.476600       2.649000     -0.3237000    
 H    7.263800       1.422000      0.6465000    


%chk=000050785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050785

0 1
O 0.641066 -0.397305 -0.015780
O 1.654714 -2.450235 0.434148
N -3.059240 -0.698180 -0.018402
N 6.730962 1.625902 0.272689
C -4.277683 0.131862 -0.063937
C -4.414941 1.290398 0.974606
C -5.552144 -0.719823 0.191829
C -5.918077 1.649917 0.893702
C -6.647212 0.279313 0.685627
C -1.751211 -0.016260 -0.192676
C -1.656711 0.717581 -1.557903
C -0.668068 -1.096242 -0.034760
C -1.931327 -0.169586 -2.791127
C 1.760658 -1.210825 0.235242
C 3.023653 -0.441487 0.236518
C 4.240677 -1.137969 0.472229
C 3.071335 0.962013 0.013554
C 5.468156 -0.461999 0.485542
C 4.294312 1.649134 0.024797
C 5.516657 0.948329 0.261088
H -4.350063 0.577557 -1.076659
H -3.753028 2.149458 0.761388
H -4.158210 0.906588 1.983838
H -5.330919 -1.469189 0.978778
H -5.851926 -1.280620 -0.709663
H -6.279041 2.188091 1.788190
H -6.095106 2.310653 0.023319
H -7.472674 0.374567 -0.042301
H -7.095350 -0.072482 1.632512
H -3.060425 -1.299433 0.818777
H -1.565406 0.750042 0.600975
H -0.644217 1.158944 -1.624041
H -2.366525 1.568476 -1.549945
H -0.686194 -1.825012 -0.863077
H -0.785304 -1.654666 0.914464
H -2.893219 -0.700534 -2.683657
H -1.964951 0.441765 -3.711593
H -1.144102 -0.932586 -2.930165
H 4.195079 -2.218804 0.643381
H 2.137534 1.502301 -0.166140
H 6.398125 -1.013775 0.668521
H 4.316968 2.732000 -0.148300
H 6.770983 2.628497 0.112810
H 7.602492 1.131122 0.440201


