%chk=000048762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048762

0 1
 O   7.0200004E-02  0.1174000       1.983200    
 O    2.801800       2.708300     -0.5458000    
 O   -1.360500       1.756400      -2.162800    
 N  -0.7422000      0.7314000     -0.1299000    
 N   0.6610000       2.276200      -1.258900    
 C    1.688900      0.7301000      0.3070000    
 C    2.074100     -0.4476000     -0.6060000    
 C    2.031400      -1.777100      0.1512000    
 C    2.678200      0.7888000       1.482200    
 C   0.2710000      0.4858000      0.8242000    
 C    2.339600      -2.998100     -0.7352000    
 C    1.790500       2.010800     -0.5015000    
 C    2.354200       1.941700       2.406000    
 C    1.356000      -3.050000      -1.907000    
 C    2.284500      -4.313700      4.2500000E-02
 C  -0.5597000       1.596300      -1.237900    
 C   -2.043700      0.1400000      9.6900001E-02
 C   -2.140500      -1.064200      0.7837000    
 C   -3.181900      0.7833000     -0.3738000    
 C   -3.394600      -1.634000       1.002800    
 C   -4.436100      0.2134000     -0.1546000    
 C   -4.542300     -0.9952000      0.5337000    
 H    1.394300     -0.4752000      -1.463500    
 H    3.079400     -0.2953000      -1.020600    
 H    2.776400      -1.787200      0.9528000    
 H    1.055300      -1.935600      0.6196000    
 H    3.709200      0.8942000       1.122000    
 H    2.647300     -0.1143000       2.100000    
 H    3.353200      -2.891400      -1.142200    
 H    2.426700       2.915900       1.915100    
 H    1.368500       1.876100       2.871400    
 H    3.081200       1.956400       3.226600    
 H   0.7436000       3.027400      -1.938300    
 H    1.543000      -2.251600      -2.631100    
 H   0.3180000      -2.976400      -1.564800    
 H    1.459600      -3.993100      -2.455700    
 H    1.284000      -4.490500      0.4519000    
 H    2.543600      -5.160700     -0.6015000    
 H    2.993600      -4.298300      0.8768000    
 H   -1.275300      -1.624900       1.120800    
 H   -3.170000       1.759300     -0.8453000    
 H   -3.477200      -2.580700       1.528700    
 H   -5.331800      0.7185000     -0.5043000    
 H   -5.519000      -1.438200      0.7056000    


%chk=000048762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048762

0 1
O -0.084073 -0.300953 1.701288
O 2.908797 2.467943 -0.842370
O -1.549360 2.111170 -2.034464
N -0.825499 0.778217 -0.227941
N 0.674752 2.237136 -1.381970
C 1.660598 0.671264 0.287391
C 2.177414 -0.572738 -0.561959
C 2.306904 -1.899728 0.218588
C 2.527577 0.881928 1.560793
C 0.204670 0.365718 0.676904
C 2.506784 -3.129206 -0.713545
C 1.817271 1.870802 -0.653822
C 2.131072 2.120696 2.390700
C 1.206708 -3.497426 -1.470708
C 3.009273 -4.340797 0.107191
C -0.633174 1.722607 -1.270019
C -2.180360 0.273077 -0.015186
C -2.440065 -1.098118 -0.222850
C -3.202839 1.150992 0.400476
C -3.743134 -1.596622 -0.008918
C -4.505457 0.647424 0.606139
C -4.777644 -0.725368 0.404064
H 1.500591 -0.707278 -1.428864
H 3.166781 -0.284111 -0.966916
H 3.171337 -1.832532 0.906524
H 1.413492 -2.072183 0.849757
H 3.579720 0.971864 1.234289
H 2.434718 -0.021045 2.186725
H 3.286535 -2.875057 -1.463620
H 2.238141 3.052688 1.807002
H 1.091075 2.043280 2.756414
H 2.785836 2.208930 3.275953
H 0.788282 2.970442 -2.090018
H 0.828511 -2.663155 -2.090481
H 0.412293 -3.779200 -0.751803
H 1.372526 -4.358747 -2.143595
H 2.277075 -4.610837 0.892525
H 3.155197 -5.227405 -0.537397
H 3.971868 -4.118856 0.604470
H -1.631957 -1.764856 -0.541902
H -2.985108 2.212870 0.551349
H -3.949939 -2.660499 -0.166448
H -5.304608 1.325472 0.923743
H -5.789081 -1.113406 0.566507


