%chk=000046203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046203

0 1
 O    2.605900      -3.648700      0.4711000    
 O    3.137900     -0.9218000      0.5850000    
 O    4.213600     -0.6161000      -1.855000    
 N  -0.2765000      -1.405000     -0.1685000    
 N   -2.955000     -0.4138000     -0.1260000    
 C   -1.258200      -1.956400      0.7734000    
 C  -0.9449000      -1.018800      -1.417300    
 C   -2.342600     -0.9276000       1.103000    
 C   -2.017800      4.1800000E-02  -1.160500    
 C   0.7830000      -2.377700     -0.4334000    
 C    1.573100      -2.726500      0.8302000    
 C   -4.218800      0.1851000     -7.4000001E-02
 C    2.215800      -1.511700       1.496000    
 C   -4.652300      0.8665000       1.081000    
 C   -5.096300      0.1243000      -1.175000    
 C   -5.912100       1.462700       1.132900    
 C   -6.356300      0.7207000      -1.123000    
 C   -6.764100       1.389900      3.0999999E-02
 C    3.316500      0.4323000      0.6807000    
 C    3.647900       1.185600     -0.4417000    
 C    3.159900       1.045400       1.920500    
 C    3.823900       2.564200     -0.3233000    
 C    3.336000       2.424100       2.038600    
 C    3.814000      0.5592000      -1.745900    
 C    3.668000       3.183400      0.9169000    
 C    3.499300       1.339000      -3.016600    
 H  -0.8038000      -2.223600       1.731600    
 H   -1.723400      -2.863300      0.3640000    
 H   -1.401100      -1.893600      -1.900400    
 H  -0.2138000     -0.6011000      -2.120300    
 H   -1.904400     -9.9600002E-02   1.675100    
 H   -3.095000      -1.416000       1.734900    
 H   -2.528800      0.2464000      -2.108300    
 H   -1.550600      0.9805000     -0.8354000    
 H    1.478300      -1.980300      -1.184800    
 H   0.3792000      -3.300500     -0.8729000    
 H   0.9487000      -3.257700       1.554300    
 H    1.424800     -0.8200000       1.809600    
 H    2.778900      -1.836200       2.379300    
 H   -4.011200      0.9550000       1.954500    
 H   -4.805300     -0.4030000      -2.080800    
 H    3.089300      -3.879600       1.282700    
 H   -6.229100       1.986300       2.030100    
 H   -7.021000      0.6617000      -1.979800    
 H   -7.745100       1.854200      7.1500003E-02
 H    2.936700      0.4910000       2.826800    
 H    4.096700       3.180300      -1.175600    
 H    3.223300       2.905600       3.005600    
 H    3.810100       4.256100       1.010300    
 H    3.182600      0.6382000      -3.795100    
 H    2.674600       2.037300      -2.850100    
 H    4.391800       1.874400      -3.349200    


%chk=000046203-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046203

0 1
O 2.679982 -3.540046 0.768659
O 2.703896 -0.571140 0.360233
O 2.295656 0.004786 -2.317067
N -0.481810 -1.677835 0.111414
N -3.146650 -0.555074 -0.020654
C -1.642928 -2.422255 0.643946
C -0.898606 -0.874135 -1.063806
C -2.762846 -1.459071 1.080381
C -1.986132 0.127215 -0.647538
C 0.710715 -2.521083 -0.136578
C 1.604870 -2.599082 1.117037
C -4.409551 0.086582 0.014595
C 2.117028 -1.216218 1.543629
C -5.313550 -0.090309 1.108939
C -4.847569 0.911174 -1.069497
C -6.590550 0.510576 1.102995
C -6.120730 1.512359 -1.058437
C -7.011660 1.318974 0.024295
C 3.187178 0.723594 0.462028
C 3.574936 1.367173 -0.762331
C 3.360448 1.391485 1.702836
C 4.197582 2.641383 -0.677149
C 3.949766 2.672017 1.743759
C 3.276581 0.778548 -2.112990
C 4.385070 3.299750 0.555090
C 4.175470 1.183226 -3.284606
H -1.329903 -3.020325 1.520411
H -2.054426 -3.129934 -0.120595
H -1.297684 -1.524626 -1.882301
H -0.018704 -0.332250 -1.451188
H -2.421899 -0.884853 1.974520
H -3.638277 -2.064475 1.373227
H -2.314184 0.685297 -1.537305
H -1.543899 0.857476 0.068776
H 1.311391 -2.073758 -0.945570
H 0.446955 -3.559688 -0.438016
H 1.021085 -2.992422 1.981635
H 1.257137 -0.614540 1.897759
H 2.876452 -1.308015 2.350507
H -5.019579 -0.679083 1.982286
H -4.204905 1.064182 -1.941690
H 3.335078 -3.585512 1.510339
H -7.255240 0.352265 1.960830
H -6.422970 2.130724 -1.912134
H -8.001528 1.786916 0.026140
H 3.045935 0.915043 2.635442
H 4.513190 3.139305 -1.599646
H 4.075025 3.174847 2.709266
H 4.851533 4.289170 0.587828
H 3.988645 0.492622 -4.121345
H 3.931610 2.207038 -3.628719
H 5.244866 1.164601 -3.011940


