%chk=000064522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064522

0 1
 O    3.726300     -0.5951000       1.782700    
 O    4.560500     -1.5699999E-02 -0.2654000    
 O   -2.683900      -2.083400     -0.2581000    
 N   -2.110200      6.4599998E-02  0.5158000    
 C    2.190600     -2.0900000E-02  6.4599998E-02
 C  -5.5000000E-02  -1.152300     -0.1934000    
 C   6.3600004E-02   1.263000      0.5302000    
 C  -0.6843000     -7.5300001E-02  0.7175000    
 C   0.6662000      0.6239000      -1.838000    
 C    1.416200      -1.345800      0.2226000    
 C    1.534500       1.063200      0.9443000    
 C    2.130200      0.4237000      -1.409400    
 C  -9.6199997E-02 -0.7006000      -1.666800    
 C   2.1600001E-02   1.699600     -0.9477000    
 C    3.619100     -0.2050000      0.4898000    
 C   -2.813800       1.266000      0.8978000    
 C   -2.966200     -0.9425000      7.6499999E-02
 C   -4.149600       1.119700      0.1972000    
 C   -4.369800     -0.3872000      0.1397000    
 H  -0.5202000      -2.132200     -7.9300001E-02
 H  -0.3450000       2.052800       1.168900    
 H  -0.5780000     -0.3952000       1.763000    
 H   0.6294000      0.9399000      -2.886600    
 H    1.457300      -1.703900       1.259600    
 H    1.879800      -2.130800     -0.3897000    
 H    2.081500       2.010900      0.8515000    
 H    1.577700      0.7889000       2.006500    
 H    2.604700     -0.3240000      -2.058900    
 H    2.686500       1.359200      -1.555400    
 H   -1.128300     -0.5809000      -2.014000    
 H   0.3569000      -1.472200      -2.302000    
 H   0.5578000       2.649400      -1.067600    
 H   -1.006900       1.880300      -1.278600    
 H   -2.331300       2.187300      0.5705000    
 H   -2.924000       1.268800       1.987100    
 H   -4.078900       1.514900     -0.8241000    
 H   -4.958600       1.649500      0.7078000    
 H   -4.947900     -0.6808000     -0.7397000    
 H   -4.853300     -0.7562000       1.049500    
 H    4.661700     -0.7125000       2.053800    


%chk=000064522-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064522

0 1
O 3.711198 -0.678735 1.885413
O 4.706547 -0.196087 -0.147470
O -2.717906 -2.232144 0.401394
N -2.163261 0.079540 0.380996
C 2.234082 -0.033900 0.066230
C -0.038700 -1.114838 -0.350220
C 0.080593 1.260702 0.510063
C -0.700037 -0.083623 0.619785
C 0.786217 0.738359 -1.871271
C 1.413568 -1.365678 0.131465
C 1.535764 1.014668 0.992170
C 2.241117 0.487675 -1.397042
C -0.029712 -0.579171 -1.803557
C 0.108601 1.787404 -0.951909
C 3.659916 -0.288876 0.533600
C -2.885330 1.352945 0.644140
C -3.041985 -1.007973 0.380174
C -4.330139 1.051837 0.165445
C -4.480845 -0.468522 0.400853
H -0.604687 -2.058794 -0.293559
H -0.376504 2.017233 1.178096
H -0.574486 -0.474621 1.655818
H 0.806641 1.116257 -2.912027
H 1.420495 -1.759179 1.165014
H 1.887214 -2.127861 -0.517520
H 2.096184 1.969831 0.962606
H 1.547734 0.654354 2.037086
H 2.741035 -0.250065 -2.052162
H 2.834945 1.419852 -1.459030
H -1.066712 -0.406118 -2.150581
H 0.415216 -1.341429 -2.473082
H 0.664999 2.745662 -0.983322
H -0.915223 1.991815 -1.319385
H -2.433752 2.197253 0.099189
H -2.864276 1.596903 1.728541
H -4.420520 1.282365 -0.910807
H -5.076297 1.654837 0.708808
H -5.092378 -0.986919 -0.355417
H -4.918367 -0.699846 1.390772
H 4.659752 -0.852013 2.132901


