%chk=000003973.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003973

0 1
 O   -4.520100      -1.979400     -0.1790000    
 O  -0.2639000      0.2231000      0.1058000    
 O  -0.6127000       4.277700      5.5100001E-02
 N   -2.563500     -2.2500001E-02  0.2767000    
 C   -2.451400      -1.335700      0.9116000    
 C   -3.927700      0.3703000     -7.6700002E-02
 C   -3.165600      -2.373300      5.3500000E-02
 C   -4.577000     -0.7416000     -0.8923000    
 C   -1.508600      0.8373000      0.1849000    
 C   0.8595000       1.004200      1.0100000E-02
 C   0.8142000       2.396300     -1.2000000E-02
 C   -1.666600       2.171500      0.1722000    
 C    2.087700      0.3465000     -6.6799998E-02
 C  -0.4936000       3.060700      7.0699997E-02
 C    1.991500       3.141600     -0.1110000    
 C    2.171900      -1.100900     -4.5600001E-02
 C    3.266300       1.086500     -0.1657000    
 C    3.218100       2.481100     -0.1878000    
 C    2.298900      -1.771100       1.169400    
 C    2.124700      -1.817000      -1.239900    
 C    2.379600      -3.163500       1.190100    
 C    2.205400      -3.209400      -1.219100    
 C    2.332800      -3.882500     -4.0000002E-03
 H   -2.927200      -1.281200       1.898400    
 H   -1.413600      -1.649600       1.067600    
 H   -3.972700       1.283300     -0.6795000    
 H   -4.494900      0.5418000      0.8460000    
 H   -2.658400      -2.515300     -0.9085000    
 H   -3.181100      -3.338900      0.5685000    
 H   -5.630700     -0.5076000      -1.073900    
 H   -4.088500     -0.8625000      -1.866800    
 H   -2.626900       2.665800      0.2594000    
 H    1.972800       4.227500     -0.1295000    
 H    4.233900      0.5933000     -0.2267000    
 H    4.137900       3.053800     -0.2649000    
 H    2.335700      -1.225400       2.109100    
 H    2.024700      -1.307300      -2.195300    
 H    2.478200      -3.687700       2.136100    
 H    2.168400      -3.769500      -2.148900    
 H    2.395200      -4.966600      1.2200000E-02


%chk=000003973-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003973

0 1
O -4.666584 -1.986993 0.072001
O -0.292212 0.264794 0.110984
O -0.594573 4.429069 0.032593
N -2.554502 -0.040612 0.311495
C -2.292588 -1.476059 0.588842
C -3.965104 0.368694 0.481181
C -3.268921 -2.352068 -0.213542
C -4.889223 -0.584283 -0.304123
C -1.539172 0.892896 0.229032
C 0.879626 1.042428 -0.064020
C 0.801632 2.453284 -0.129874
C -1.656218 2.278897 0.236172
C 2.100350 0.326523 -0.209902
C -0.512306 3.152074 0.046364
C 1.988559 3.189995 -0.361521
C 2.196438 -1.160840 -0.121036
C 3.260515 1.105049 -0.454084
C 3.211659 2.517932 -0.531665
C 1.571151 -1.889497 0.928072
C 2.970824 -1.878942 -1.072757
C 1.717638 -3.290291 1.021175
C 3.114082 -3.280831 -0.982524
C 2.487757 -3.993901 0.065346
H -2.433848 -1.670593 1.673557
H -1.253630 -1.717481 0.320268
H -4.109097 1.393665 0.103351
H -4.235158 0.351437 1.557831
H -3.067602 -2.247115 -1.301184
H -3.171467 -3.409664 0.079845
H -5.945568 -0.374950 -0.069641
H -4.717804 -0.455211 -1.394677
H -2.623226 2.761293 0.384662
H 1.903646 4.280856 -0.400193
H 4.221135 0.587966 -0.555080
H 4.132188 3.082421 -0.711847
H 0.992731 -1.351187 1.685874
H 3.442021 -1.336296 -1.900340
H 1.240672 -3.831838 1.846115
H 3.709076 -3.815447 -1.731354
H 2.599807 -5.081373 0.138104


