%chk=000019672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019672

0 1
 O   0.6175000      0.3073000       1.189600    
 O  -0.9030000       2.438000      0.2541000    
 O    2.973500       1.334300      0.8372000    
 N    3.887700     -0.4725000     -0.2989000    
 C   -4.876700     -0.3930000      0.1077000    
 C   -3.425000     -0.2045000      0.3924000    
 C   -5.133100     -0.8324000      -1.340700    
 C    5.193700      0.1625000     -0.4257000    
 C    3.790900      -1.812100     -0.8736000    
 C    2.855600      0.2056000      0.3502000    
 C  -0.7218000      0.1464000      0.9229000    
 C   -2.830300       1.040700      0.1894000    
 C    1.520600     -0.4995000      0.4644000    
 C   -2.662000      -1.273700      0.8617000    
 C   -1.472500       1.217000      0.4561000    
 C   -1.304100      -1.097500       1.128000    
 C    5.294500      0.9747000      -1.700200    
 C    4.161500      -2.877500      0.1373000    
 C   -6.612000      -1.055700      -1.614000    
 C  -0.3549000       2.691800      -1.038000    
 H   -5.419700      0.5385000      0.3142000    
 H   -5.294900      -1.135400      0.8001000    
 H   -4.587400      -1.759900      -1.553200    
 H   -4.750000     -7.4500002E-02  -2.034900    
 H    5.353800      0.8266000      0.4313000    
 H    5.978700     -0.6008000     -0.3904000    
 H    2.770200      -1.990100      -1.222700    
 H    4.440300      -1.876100      -1.753800    
 H   -3.420200       1.877300     -0.1776000    
 H    1.142900     -0.6819000     -0.5486000    
 H    1.655600      -1.447300      0.9929000    
 H   -3.113500      -2.248900       1.023900    
 H  -0.7230000      -1.935900       1.500900    
 H    6.276000       1.453500      -1.770300    
 H    4.530100       1.758400      -1.731200    
 H    5.159400      0.3445000      -2.585100    
 H    4.062900      -3.872900     -0.3071000    
 H    3.520400      -2.836000       1.022900    
 H    5.196200      -2.759900      0.4752000    
 H   -7.017000      -1.836800     -0.9629000    
 H   -7.183900     -0.1375000      -1.446500    
 H   -6.763400      -1.366200      -2.652400    
 H   7.1599998E-02   3.698600      -1.037200    
 H   0.4400000       1.975900      -1.268900    
 H   -1.137300       2.643500      -1.801900    


%chk=000019672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019672

0 1
O 0.609751 0.524459 0.085402
O -1.381351 2.509537 0.525176
O 3.007619 1.549680 -0.459784
N 4.097044 -0.506509 -0.403576
C -5.016181 -0.814558 0.171473
C -3.527460 -0.499473 0.155595
C -5.713014 -0.512507 -1.185297
C 5.411456 0.168179 -0.552628
C 4.094805 -1.985241 -0.324380
C 2.957223 0.286826 -0.367435
C -0.742418 0.130068 0.058923
C -3.071483 0.832322 0.320947
C 1.614463 -0.468980 -0.236492
C -2.563581 -1.509831 -0.071519
C -1.702046 1.169779 0.270349
C -1.184878 -1.200052 -0.120658
C 5.825390 0.333233 -2.030181
C 4.314213 -2.523540 1.107799
C -7.223048 -0.830468 -1.157217
C -0.344234 3.179626 -0.299032
H -5.522275 -0.226754 0.963245
H -5.173190 -1.883076 0.418878
H -5.217082 -1.099819 -1.983080
H -5.556098 0.553737 -1.441360
H 5.331810 1.159824 -0.076657
H 6.164299 -0.423839 0.001059
H 3.151438 -2.380982 -0.740353
H 4.898344 -2.356710 -0.988559
H -3.778935 1.650397 0.497619
H 1.376971 -0.972414 -1.199796
H 1.661113 -1.241255 0.558647
H -2.886416 -2.549372 -0.202773
H -0.461705 -2.008195 -0.271197
H 6.817215 0.816473 -2.098329
H 5.094884 0.968139 -2.559318
H 5.884986 -0.642229 -2.547512
H 4.344939 -3.628633 1.104461
H 3.503550 -2.201673 1.785412
H 5.268343 -2.156293 1.525589
H -7.400188 -1.897636 -0.923574
H -7.741645 -0.228891 -0.386680
H -7.698617 -0.614093 -2.131409
H -0.353992 4.223040 0.052179
H 0.647236 2.721949 -0.158770
H -0.629355 3.142358 -1.368584


