%chk=000131593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131593

0 1
 O   0.7661000      0.7296000       2.817300    
 O    2.230400      -1.863800      0.9811000    
 O   -4.968500       1.175600      0.4316000    
 O    4.853600      -1.459000      9.0200000E-02
 O    5.615500      0.5646000     -0.9710000    
 O   -6.113800     -0.6938000     -0.5617000    
 N  -0.5757000       1.517800      0.4830000    
 C   0.1525000      0.2188000      0.5669000    
 C  -0.4969000     -0.8576000     -0.3550000    
 C    1.636000      0.3555000      0.1450000    
 C  -0.3104000       2.235400     -0.7663000    
 C   -2.019000       1.412400      0.7547000    
 C   0.1028000     -0.2448000       2.049500    
 C    1.150400       2.670000     -0.7861000    
 C    2.091100       1.527700     -0.5169000    
 C   -2.004400     -0.8445000     -0.3931000    
 C   -2.719900      0.2623000      9.0000004E-02
 C    2.548300     -0.7001000      0.3542000    
 C    3.436900       1.660100     -0.9032000    
 C   -4.103100      0.2165000     -4.1000000E-03
 C   -2.690300      -1.932800     -0.9788000    
 C    3.858900     -0.5403000     -4.9300000E-02
 C    4.292700      0.6102000     -0.6564000    
 C   -4.762200     -0.8524000     -0.5681000    
 C   -4.083400      -1.942300      -1.067300    
 C   -6.237100      0.5939000      7.2600000E-02
 C    5.966100     -0.7494000     -0.4915000    
 C    2.383500      -3.069700      0.2326000    
 H  -0.1792000      -1.859300     -4.2500000E-02
 H  -0.1543000     -0.7236000      -1.390700    
 H  -0.9212000       3.144500     -0.8325000    
 H  -0.5497000       1.627200      -1.647200    
 H   -2.514600       2.352700      0.4799000    
 H   -2.171300       1.324900       1.837400    
 H   0.5505000      -1.218700       2.245400    
 H  -0.9235000     -0.3362000       2.419900    
 H    1.321100       3.443700     -2.6400000E-02
 H    1.370100       3.112200      -1.765400    
 H    3.792800       2.562200      -1.390500    
 H   -2.130100      -2.779100      -1.370200    
 H   0.7184000      0.4492000       3.747000    
 H   -4.605900      -2.780700      -1.513500    
 H   -6.754500       1.275100     -0.6126000    
 H   -6.841400      0.4822000      0.9802000    
 H    6.356700      -1.336600      -1.330600    
 H    6.753000     -0.6491000      0.2649000    
 H    1.611800      -3.771100      0.5633000    
 H    3.359100      -3.518200      0.4393000    
 H    2.258900      -2.905400     -0.8435000    


%chk=000131593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131593

0 1
O 0.426881 0.565324 2.811051
O 1.943711 -2.147324 0.288259
O -5.042202 1.243229 0.565388
O 4.861381 -1.676715 -0.515203
O 5.677831 0.476128 -1.146197
O -6.302688 -0.454423 -0.568593
N -0.556189 1.419904 0.477452
C 0.129662 0.076255 0.398187
C -0.587704 -0.866705 -0.623725
C 1.607924 0.256683 -0.029802
C -0.257122 2.320291 -0.659844
C -1.996029 1.323215 0.833503
C 0.046784 -0.479890 1.863058
C 1.214181 2.732739 -0.557345
C 2.119135 1.512643 -0.463721
C -2.110165 -0.825366 -0.577073
C -2.773156 0.258813 0.072459
C 2.485236 -0.886270 -0.015372
C 3.484627 1.681138 -0.832338
C -4.170046 0.254610 0.022882
C -2.863420 -1.833453 -1.230940
C 3.829801 -0.694940 -0.370684
C 4.312810 0.568093 -0.758288
C -4.910885 -0.743227 -0.635353
C -4.283111 -1.812449 -1.279108
C -6.408367 0.684688 0.378699
C 6.098024 -0.872401 -0.700244
C 2.801189 -3.122157 0.997636
H -0.222040 -1.896622 -0.469262
H -0.255947 -0.576793 -1.641744
H -0.909298 3.208175 -0.579780
H -0.460236 1.846422 -1.648608
H -2.453842 2.316487 0.677971
H -2.082972 1.119042 1.919809
H 0.732199 -1.326191 1.996596
H -0.987488 -0.833532 2.062200
H 1.340672 3.366134 0.342647
H 1.503995 3.344823 -1.432740
H 3.860984 2.650771 -1.168310
H -2.329813 -2.657567 -1.718290
H 0.225764 1.417918 2.315206
H -4.855734 -2.589835 -1.790630
H -7.055489 1.458847 -0.061213
H -6.779153 0.312520 1.353249
H 6.710791 -1.338856 -1.484959
H 6.622289 -0.785746 0.272168
H 2.135945 -3.970964 1.216812
H 3.182836 -2.685026 1.939221
H 3.645244 -3.442642 0.366511


