%chk=000072804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072804

0 1
 O    1.851600       2.721800      0.2761000    
 O    2.108600      -2.698300     -0.2586000    
 O   -5.447700     -0.4107000      0.1778000    
 N    3.014800      0.7285000      0.1937000    
 N    3.068200     -0.5977000     -0.2429000    
 N   0.1132000     -8.2800001E-02  6.2100001E-02
 C    4.191000       1.128100      0.9592000    
 C    4.229800     -0.8800000      -1.079500    
 C    5.471000      0.9061000      0.1590000    
 C    5.527200     -0.5296000     -0.3570000    
 C    1.927300       1.541300     -7.0699997E-02
 C    2.085900      -1.514600      8.5100003E-02
 C   0.7750000      0.8889000     -0.8131000    
 C   0.9205000     -0.9778000      0.8964000    
 C   -1.278100     -0.1649000      9.0999998E-02
 C   -2.046300      0.1489000      -1.047300    
 C   -1.956300     -0.5643000       1.259200    
 C   -3.438400      6.6900000E-02  -1.018400    
 C   -3.348400     -0.6465000       1.288000    
 C   -4.089400     -0.3308000      0.1492000    
 C   -6.168800      0.4819000     -0.6702000    
 C   -7.510700      0.7858000     -3.9099999E-02
 H    4.202500      0.5364000       1.882500    
 H    4.106600       2.181800       1.244500    
 H    4.126700     -0.2924000      -1.999800    
 H    4.233800      -1.937500      -1.362900    
 H    6.347900       1.121500      0.7786000    
 H    5.493800       1.596600     -0.6932000    
 H    6.382400     -0.6585000      -1.028900    
 H    5.669700      -1.211900      0.4902000    
 H   0.1019000       1.705000      -1.104200    
 H    1.128600      0.4147000      -1.735500    
 H   0.3533000      -1.856000       1.228800    
 H    1.278900     -0.4641000       1.795500    
 H   -1.572600      0.4340000      -1.983800    
 H   -1.414500     -0.7945000       2.173400    
 H   -3.976000      0.2895000      -1.935300    
 H   -3.850800     -0.9516000       2.201900    
 H   -5.642800       1.436100     -0.8001000    
 H   -6.317400      8.8000000E-03  -1.647200    
 H   -8.096300       1.460900     -0.6694000    
 H   -8.081400     -0.1359000      0.1158000    
 H   -7.378500       1.247000      0.9453000    


%chk=000072804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072804

0 1
O 2.377190 2.903456 0.503488
O 1.838438 -2.592019 -0.147598
O -5.509639 -0.154181 0.330794
N 3.185291 0.744460 0.225265
N 2.997976 -0.580044 -0.246445
N 0.156585 0.312543 0.453856
C 4.514240 1.021573 0.822903
C 4.019536 -1.056698 -1.209807
C 5.635076 0.600006 -0.154138
C 5.434662 -0.863559 -0.618844
C 2.185317 1.716665 0.110881
C 1.964550 -1.393535 0.236350
C 0.854010 1.221738 -0.475356
C 0.973349 -0.683684 1.179692
C -1.256747 0.189725 0.380276
C -1.984579 0.652258 -0.750314
C -2.000110 -0.370589 1.463785
C -3.394556 0.565648 -0.803521
C -3.398067 -0.477879 1.404632
C -4.110121 -0.008103 0.273114
C -6.289744 0.321338 -0.824811
C -7.759264 0.057538 -0.505550
H 4.601238 0.459347 1.774199
H 4.536412 2.100715 1.044425
H 3.915280 -0.484526 -2.152817
H 3.790063 -2.116345 -1.406784
H 6.614254 0.718805 0.344878
H 5.626287 1.277661 -1.029883
H 6.188033 -1.136416 -1.380288
H 5.565509 -1.552493 0.238121
H 0.236811 2.122170 -0.621830
H 1.036578 0.756692 -1.473116
H 0.317889 -1.472004 1.574661
H 1.520592 -0.222557 2.027901
H -1.457973 1.066963 -1.615502
H -1.487641 -0.697218 2.374609
H -3.911710 0.935618 -1.694069
H -3.962784 -0.906009 2.238706
H -6.100866 1.404411 -0.980629
H -5.972292 -0.225657 -1.737396
H -8.398219 0.396070 -1.341515
H -7.934217 -1.019843 -0.344019
H -8.060837 0.598057 0.407896


