%chk=000002477.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002477

0 1
 O    3.496400       1.820400       1.108500    
 O    3.862200      -2.100900      -1.397000    
 N    3.673200     -8.1699997E-02 -0.2355000    
 N   -2.524000     -0.9008000      1.2200000E-02
 N   -5.261900     -9.0200000E-02  8.6700000E-02
 N   -6.962700       1.332300     -0.7254000    
 N   -7.499800     -0.5443000      0.6878000    
 C    6.450400     -0.1000000      0.1742000    
 C    6.780300      0.7141000      -1.089000    
 C    7.856700     -0.3369000      0.7495000    
 C    7.924500       1.639100     -0.6797000    
 C    8.609400      0.9690000      0.5100000    
 C    5.574100      0.6685000       1.165900    
 C    5.751900      -1.419000     -0.1298000    
 C    4.160700      0.8783000      0.6699000    
 C    4.353100      -1.233500     -0.6705000    
 C    2.314000      0.1131000     -0.7289000    
 C    1.270600     -0.5535000      0.1618000    
 C  -0.1567000     -0.3711000     -0.3646000    
 C   -1.169800      -1.078800      0.5348000    
 C   -2.878800      0.5231000     -2.4800001E-02
 C   -3.493600      -1.635900      0.8339000    
 C   -4.273100      0.7275000     -0.6226000    
 C   -4.907800      -1.504000      0.2639000    
 C   -6.618900      0.2437000      1.4300000E-02
 C   -8.279000       1.624900     -0.7741000    
 C   -8.799500     -0.1941000      0.5957000    
 C   -9.251900      0.8906000     -0.1274000    
 H    5.931600       1.281100      -1.484000    
 H    7.129100      5.0299998E-02  -1.890600    
 H    8.362900      -1.145300      0.2062000    
 H    7.847600     -0.6114000       1.809600    
 H    7.538400       2.621400     -0.3840000    
 H    8.619700       1.799300      -1.510200    
 H    9.671400      0.7858000      0.3175000    
 H    8.545000       1.616800       1.391800    
 H    5.997200       1.654800       1.389000    
 H    5.502000      0.1251000       2.116700    
 H    5.673700      -2.034600      0.7751000    
 H    6.324400      -1.995100     -0.8672000    
 H    2.241000     -0.2911000      -1.745800    
 H    2.105900       1.187400     -0.8008000    
 H    1.340300     -0.1458000       1.178100    
 H    1.492700      -1.624900      0.2440000    
 H  -0.3210000      0.7089000     -0.4072000    
 H  -0.2253000     -0.7597000      -1.388200    
 H   -1.087600     -0.7013000       1.562600    
 H  -0.9249000      -2.148100      0.5605000    
 H   -2.214000       1.104000     -0.6684000    
 H   -2.839100      0.9624000      0.9810000    
 H   -3.479800      -1.270800       1.869900    
 H   -3.233200      -2.701100      0.8595000    
 H   -4.513500       1.794700     -0.5413000    
 H   -4.275400      0.4640000      -1.688000    
 H   -4.978800      -2.020100     -0.7022000    
 H   -5.587400      -2.011400      0.9585000    
 H   -8.538500       2.495200      -1.367100    
 H   -9.490500     -0.8310000       1.137500    
 H   -10.30090       1.148300     -0.1838000    


%chk=000002477-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002477

0 1
O 3.566739 2.058700 0.690039
O 3.838263 -2.235668 -1.097773
N 3.722314 -0.072237 -0.240946
N -2.610296 -0.736159 -0.210364
N -5.434147 -0.258359 -0.444980
N -7.070957 1.435264 -0.263375
N -7.523948 -0.863784 0.476730
C 6.552712 -0.125554 0.312192
C 6.982854 0.503895 -1.047821
C 7.925414 -0.309966 1.017995
C 8.138600 1.484948 -0.696351
C 8.757748 0.951648 0.642670
C 5.639344 0.835008 1.114567
C 5.786533 -1.455761 0.156273
C 4.247914 1.010328 0.516784
C 4.395540 -1.307818 -0.449233
C 2.359415 0.080988 -0.826506
C 1.254031 -0.436981 0.117774
C -0.145486 -0.266749 -0.513839
C -1.259666 -0.815801 0.401237
C -3.140014 0.650072 -0.277310
C -3.589112 -1.625858 0.466555
C -4.474983 0.686924 -1.046441
C -4.929268 -1.636087 -0.294271
C -6.705743 0.112963 -0.067932
C -8.332223 1.773415 0.108279
C -8.774905 -0.472924 0.831183
C -9.248207 0.850906 0.667762
H 6.151527 1.000954 -1.580390
H 7.355980 -0.303071 -1.708351
H 8.411780 -1.220718 0.615883
H 7.825254 -0.447477 2.110912
H 7.753758 2.512327 -0.564095
H 8.885450 1.528397 -1.508244
H 9.828596 0.706021 0.533268
H 8.686913 1.717943 1.435784
H 6.070904 1.846052 1.206132
H 5.512618 0.451005 2.148482
H 5.666467 -1.941216 1.147732
H 6.334963 -2.172037 -0.480487
H 2.344210 -0.487301 -1.771585
H 2.212630 1.154920 -1.029641
H 1.304320 0.117242 1.075148
H 1.437275 -1.506911 0.335561
H -0.315617 0.807180 -0.727701
H -0.196305 -0.802058 -1.481678
H -1.222478 -0.287944 1.390323
H -1.050040 -1.884780 0.602164
H -2.413751 1.293617 -0.803610
H -3.295540 1.075142 0.748000
H -3.775165 -1.309421 1.525246
H -3.179196 -2.652712 0.485159
H -4.922090 1.692013 -1.023911
H -4.290499 0.394665 -2.100303
H -4.766893 -2.074178 -1.300101
H -5.689655 -2.226389 0.238580
H -8.608748 2.822591 -0.051104
H -9.412516 -1.254823 1.261013
H -10.259615 1.143313 0.957420


