%chk=000048275.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048275

0 1
 O   0.7538000      0.9744000      0.4431000    
 O  -0.6248000     -0.2156000     -0.9725000    
 N    3.168700       2.535800      0.2358000    
 C    1.898500      0.4771000     -0.2487000    
 C    3.179700       1.077200      0.3432000    
 C    1.894600      -1.032300     -0.1453000    
 C    2.427900      -1.782100      -1.179600    
 C    1.358300      -1.631500      0.9815000    
 C    3.104600       2.944300      -1.166900    
 C    4.351800       3.104600      0.8804000    
 C   -1.554700       1.158900      0.8070000    
 C  -0.4568000      0.5437000     -2.7799999E-02
 C   -2.931900      0.7141000      0.3874000    
 C    2.424600      -3.173700      -1.084400    
 C    1.355100      -3.023200       1.076700    
 C    1.888200      -3.794200      4.3699998E-02
 C   -3.620300       1.441000     -0.5729000    
 C   -3.490100     -0.4157000      0.9676000    
 C   -4.895100       1.029300     -0.9615000    
 C   -4.764900     -0.8274000      0.5789000    
 C   -5.467300     -0.1049000     -0.3858000    
 H    1.795500      0.7339000      -1.310000    
 H    4.065500      0.6482000     -0.1443000    
 H    3.232500      0.8073000       1.406700    
 H    2.849700      -1.307700      -2.060900    
 H   0.9626000      -1.058500       1.814800    
 H    2.116500       2.765800      -1.601300    
 H    3.865900       2.452400      -1.783200    
 H    3.256900       4.027200      -1.255300    
 H    4.319700       4.199500      0.8485000    
 H    5.282100       2.772500      0.4052000    
 H    4.386300       2.825400       1.939500    
 H   -1.480200       2.250400      0.7306000    
 H   -1.386600      0.8906000       1.857000    
 H    2.840500      -3.774000      -1.888200    
 H   0.9434000      -3.506500       1.957900    
 H    1.887100      -4.877700      0.1186000    
 H   -3.182500       2.324400      -1.029100    
 H   -2.950100     -0.9866000       1.717600    
 H   -5.441700       1.591400      -1.713000    
 H   -5.210300      -1.711100       1.026500    
 H   -6.459700     -0.4258000     -0.6887000    


%chk=000048275-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048275

0 1
O 0.559685 0.038988 0.484252
O -0.431559 1.158762 -1.313866
N 2.457641 2.243667 0.049055
C 1.808887 -0.174759 -0.309187
C 2.861644 0.835995 0.214080
C 2.265921 -1.608914 -0.112285
C 2.857896 -2.312833 -1.189221
C 2.163541 -2.239481 1.153203
C 2.498791 2.710532 -1.352684
C 3.179994 3.147865 0.967372
C -1.521264 1.139603 0.916295
C -0.445611 0.805012 -0.113815
C -2.951823 1.057483 0.397332
C 3.348028 -3.625806 -1.005935
C 2.645302 -3.554085 1.335391
C 3.243388 -4.249908 0.258219
C -3.384011 1.844621 -0.701374
C -3.883870 0.198671 1.031655
C -4.720976 1.773074 -1.150636
C -5.223233 0.126997 0.583510
C -5.646454 0.916152 -0.509744
H 1.570912 0.020063 -1.370627
H 3.831035 0.601163 -0.298459
H 3.008843 0.636005 1.291732
H 2.927869 -1.837059 -2.175408
H 1.684103 -1.705449 1.980431
H 1.788242 2.132721 -1.966823
H 3.519412 2.636190 -1.806881
H 2.181192 3.767282 -1.393666
H 2.765594 4.168298 0.880769
H 4.279350 3.206624 0.764775
H 3.041654 2.810383 2.009975
H -1.297391 2.174246 1.248736
H -1.379130 0.486763 1.792425
H 3.801340 -4.161955 -1.847169
H 2.553574 -4.037765 2.314523
H 3.616957 -5.270095 0.401195
H -2.666168 2.494314 -1.212199
H -3.560792 -0.418081 1.879567
H -5.040890 2.384811 -2.001931
H -5.930815 -0.542701 1.085471
H -6.683809 0.863508 -0.859249


