%chk=000047647.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047647

0 1
 O    4.348400      -1.770400      0.3546000    
 O    5.036000      0.9201000      0.2533000    
 N   -1.350800      0.4368000     -0.2597000    
 N   -6.803700     -0.5802000      0.7100000    
 C  -0.3997000     -0.6967000     -0.2861000    
 C  -0.9438000       1.668700     -0.9369000    
 C    1.046700     -0.2403000     -0.1437000    
 C   0.3499000       2.184900     -0.3161000    
 C    1.401600       1.118400     -0.1934000    
 C  -0.5867000      -1.494500      -1.586700    
 C   -2.704700      0.1843000     -1.8999999E-02
 C    2.058100      -1.198600      4.6100002E-02
 C    2.746300       1.493900     -5.0700001E-02
 C    3.393200     -0.8163000      0.1754000    
 C    3.737600      0.5303000      0.1254000    
 C   -3.704800      0.6812000     -0.8822000    
 C   -3.118700     -0.5770000       1.095300    
 C   -5.055700      0.4290000     -0.6422000    
 C   -4.469500     -0.8289000       1.335600    
 C   -5.438000     -0.3258000      0.4668000    
 C    4.953700      -2.309700     -0.8188000    
 C    5.504800       1.190700       1.572900    
 H  -0.5947000      -1.360200      0.5650000    
 H   -1.693700       2.462300     -0.8326000    
 H  -0.8112000       1.478400      -2.009000    
 H   0.1439000       2.571100      0.6905000    
 H   0.7236000       3.018900     -0.9220000    
 H   5.7599999E-02  -2.379800      -1.611900    
 H   -1.619800      -1.842000      -1.694800    
 H  -0.3471000     -0.8885000      -2.467900    
 H    1.800700      -2.254500      9.7800002E-02
 H    3.019500       2.546700     -7.3600002E-02
 H   -3.443700       1.255700      -1.767900    
 H   -2.389500     -0.9653000       1.802200    
 H   -5.800900      0.8224000      -1.328800    
 H   -4.755100      -1.414800       2.205500    
 H    5.695000      -3.052300     -0.5114000    
 H    5.460700      -1.523500      -1.387100    
 H    4.203400      -2.802300      -1.445500    
 H    5.425300      0.2978000       2.201000    
 H    4.940000       2.015600       2.018800    
 H    6.557000       1.481100       1.509700    
 H   -7.081500      -1.128000       1.513400    
 H   -7.506400     -0.2162000      8.0300003E-02


%chk=000047647-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047647

0 1
O 4.323256 -1.807212 0.454137
O 5.090553 1.006480 0.137866
N -1.402217 0.510085 -0.165836
N -6.950146 -0.616615 0.668712
C -0.454024 -0.639929 -0.194360
C -1.006474 1.654013 -1.005549
C 1.002333 -0.176500 -0.100578
C 0.314607 2.250252 -0.482280
C 1.374706 1.184030 -0.262824
C -0.680784 -1.537383 -1.451292
C -2.791936 0.215031 0.001876
C 2.011025 -1.144540 0.127396
C 2.742246 1.542017 -0.171608
C 3.370368 -0.788924 0.201575
C 3.740516 0.581201 0.074382
C -3.805044 0.789187 -0.817751
C -3.221857 -0.656044 1.045112
C -5.173281 0.527979 -0.593074
C -4.582941 -0.938087 1.258663
C -5.591892 -0.345175 0.446428
C 5.297012 -2.015890 -0.642449
C 5.736267 0.793437 1.454191
H -0.657735 -1.259622 0.698710
H -1.794362 2.423042 -0.942332
H -0.897494 1.376234 -2.081285
H 0.107503 2.761454 0.478769
H 0.683843 3.020703 -1.186977
H -0.006590 -2.412157 -1.444075
H -1.723702 -1.900454 -1.471952
H -0.485325 -0.968418 -2.378123
H 1.757617 -2.204034 0.248388
H 3.052728 2.587800 -0.277796
H -3.533892 1.437528 -1.657288
H -2.482713 -1.100450 1.720684
H -5.923039 0.995648 -1.244025
H -4.870394 -1.610700 2.076881
H 5.979022 -2.802312 -0.284235
H 5.854801 -1.086595 -0.858145
H 4.773590 -2.358577 -1.555477
H 5.709071 -0.273686 1.739872
H 5.229742 1.400931 2.228291
H 6.775370 1.135147 1.330277
H -7.240162 -1.236523 1.418060
H -7.666873 -0.189871 0.090644


