%chk=000104824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104824

0 1
 O  -0.2133000       1.471200      0.4785000    
 O   -2.730600       2.488900       1.226100    
 N   -2.896800     -0.5113000     -0.9493000    
 C    1.683600      3.0200001E-02  0.6746000    
 C    1.274100     -0.7321000       1.895100    
 C    2.913100     -0.4300000      0.1885000    
 C    2.612700      -1.354800       2.319500    
 C    3.439200      -1.543000       1.038500    
 C   -2.971700      0.2894000      0.2728000    
 C   0.9863000       1.031400      2.0199999E-02
 C   -2.579200       1.757500      5.5000000E-03
 C    3.470500      0.1018000     -0.9619000    
 C   -1.144100       1.957100     -0.4901000    
 C   -3.196000      -1.906900     -0.6695000    
 C    1.547000       1.582400      -1.134000    
 C    2.780300       1.121100      -1.621500    
 C   -4.393600      0.1869000      0.8336000    
 C    4.769100     -0.3915000      -1.498000    
 C   -2.188400      -2.443900      0.3381000    
 C   -3.162300      -2.704300      -1.966900    
 H   0.8699000     -8.6499996E-02   2.679800    
 H   0.5467000      -1.505800       1.633500    
 H    2.481500      -2.289800       2.873100    
 H    3.137800     -0.6562000       2.986000    
 H    3.226100      -2.509200      0.5697000    
 H    4.509200      -1.452400       1.244600    
 H   -2.280000     -6.2799998E-02   1.045200    
 H   -3.270800       2.201900     -0.7203000    
 H   -1.034900       1.447800      -1.455500    
 H  -0.9575000       3.029500     -0.6235000    
 H   -3.547600     -0.1470000      -1.644600    
 H   -4.209500      -2.048200     -0.2814000    
 H    1.067500       2.391900      -1.677600    
 H    3.188700       1.572300      -2.522600    
 H   -4.558200      0.9190000       1.631900    
 H   -5.150400      0.3822000      6.4900003E-02
 H   -4.600600     -0.7848000       1.292300    
 H    4.731300      -1.473900      -1.659400    
 H    5.015200      7.2800003E-02  -2.458900    
 H    5.580400     -0.1611000     -0.7998000    
 H   -1.159400      -2.191600      5.7999998E-02
 H   -2.244700      -3.538400      0.3797000    
 H   -2.374600      -2.098700       1.359400    
 H   -3.396300      -3.758500      -1.782200    
 H   -3.898100      -2.323600      -2.684200    
 H   -2.174700      -2.659800      -2.440200    
 H   -2.087900       2.134900       1.864700    


%chk=000104824-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104824

0 1
O -0.313807 0.778879 0.332054
O -2.337437 2.278729 1.429452
N -3.543709 -0.414877 -0.956071
C 1.869292 -0.071500 0.839188
C 1.559527 -0.515502 2.259244
C 3.205840 -0.366311 0.487898
C 2.978183 -0.743428 2.871468
C 3.911562 -1.045235 1.656595
C -3.264880 0.204086 0.369856
C 1.006533 0.536760 -0.098800
C -2.564784 1.579639 0.153281
C 3.723366 -0.065285 -0.798504
C -1.241990 1.444847 -0.610893
C -3.470035 -1.903655 -1.027812
C 1.499036 0.859123 -1.386711
C 2.841978 0.555953 -1.717303
C -4.531983 0.360114 1.241679
C 5.158788 -0.390495 -1.171684
C -1.998205 -2.369604 -1.091827
C -4.252218 -2.379187 -2.269223
H 0.964832 0.225871 2.822591
H 0.968715 -1.454452 2.249972
H 2.991010 -1.547053 3.628248
H 3.314514 0.187626 3.364343
H 3.988384 -2.137692 1.475210
H 4.942525 -0.677354 1.813248
H -2.541593 -0.448563 0.895079
H -3.241986 2.240943 -0.420242
H -1.393469 0.821121 -1.510369
H -0.837744 2.441071 -0.876454
H -4.443434 -0.076662 -1.328275
H -3.941358 -2.368401 -0.125733
H 0.857555 1.336935 -2.132430
H 3.209068 0.811476 -2.718817
H -4.291084 0.842410 2.204222
H -5.279165 0.997563 0.727798
H -4.995332 -0.624593 1.437949
H 5.367909 -1.473917 -1.080810
H 5.379459 -0.091711 -2.210922
H 5.878938 0.130803 -0.511458
H -1.530266 -2.013585 -2.027880
H -1.936680 -3.473624 -1.061058
H -1.407704 -1.970558 -0.247595
H -4.183114 -3.475822 -2.378988
H -5.324388 -2.111862 -2.198227
H -3.836642 -1.911944 -3.181512
H -1.505011 1.893023 1.812622


