%chk=000046179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046179

0 1
 O   -1.151900      7.1900003E-02   1.310200    
 O   0.9159000     -0.5825000     -0.4771000    
 O    1.499900       1.964300      -1.091000    
 N   -3.259000      0.1974000     -0.5888000    
 C   -4.211000     -0.8099000     -0.1157000    
 C   -3.105900       1.257900      0.4095000    
 C   -1.971900     -0.4138000     -0.8914000    
 C   -1.298700     -0.9859000      0.3585000    
 C   -3.685600      -1.481100       1.150100    
 C   -4.455400      -1.835100      -1.218500    
 C   -4.459000       1.891700      0.7197000    
 C   -2.117500       2.299900     -0.1041000    
 C   7.6700002E-02  -1.588700      8.1100002E-02
 C    2.254700     -0.6778000     -0.2059000    
 C    3.046800      0.4641000     -0.1319000    
 C    2.812000      -1.937100     -3.7000000E-03
 C    4.408400      0.3457000      0.1472000    
 C    4.173500      -2.055400      0.2755000    
 C    2.478600       1.788700     -0.3398000    
 C    4.971700     -0.9141000      0.3508000    
 C    3.077900       2.999500      0.3653000    
 H   -5.193200     -0.3642000      7.1099997E-02
 H   -2.844200      0.9884000       1.427900    
 H   -2.056600      -1.193500      -1.656000    
 H   -1.320300      0.3167000      -1.383700    
 H   -1.706600      -1.861600      0.8237000    
 H   -3.172000     -0.9101000       1.921700    
 H   -4.611300      -1.707900       1.711300    
 H   -3.336600      -2.510700       1.001400    
 H   -4.678800      -1.350500      -2.175800    
 H   -5.327700      -2.448200     -0.9607000    
 H   -3.625700      -2.534000      -1.364700    
 H   -4.326600       2.831300       1.270400    
 H   -5.010600       2.138500     -0.1952000    
 H   -5.093200       1.262600       1.353400    
 H   -1.076600       1.979100     -0.1609000    
 H   -2.118700       3.174200      0.5587000    
 H   -2.410500       2.665600      -1.096100    
 H   0.4779000      -1.945900       1.039700    
 H  -6.3000000E-03  -2.424000     -0.6242000    
 H  -0.2869000      0.4921000       1.167100    
 H    2.237100      -2.854400     -8.5000001E-02
 H    5.058500       1.214700      0.1982000    
 H    4.614400      -3.036500      0.4260000    
 H    6.032800      -1.007000      0.5631000    
 H    3.869600       3.429400     -0.2530000    
 H    3.468400       2.723400       1.348400    
 H    2.292100       3.744700      0.5225000    


%chk=000046179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046179

0 1
O -0.874001 -0.462910 1.568506
O 1.028509 -0.718915 -0.425483
O 1.101978 1.586146 1.028979
N -3.202292 0.105130 -0.411312
C -4.325584 -0.783047 0.021662
C -3.146401 1.439985 0.275256
C -1.919190 -0.544241 -0.735718
C -1.146337 -1.293728 0.400474
C -4.372385 -1.114953 1.545493
C -4.402745 -2.074622 -0.823981
C -4.526279 2.144022 0.216068
C -2.097479 2.372120 -0.376072
C 0.172153 -1.895968 -0.128640
C 2.398854 -0.784204 -0.238136
C 3.061238 0.422852 0.167347
C 3.144390 -1.959232 -0.507208
C 4.483994 0.416172 0.212090
C 4.550528 -1.938808 -0.416151
C 2.305084 1.633735 0.623117
C 5.228339 -0.745496 -0.069421
C 3.032651 2.977214 0.648165
H -5.254277 -0.224464 -0.206929
H -2.863151 1.318590 1.346529
H -2.096116 -1.285381 -1.541676
H -1.241920 0.212675 -1.164021
H -1.763523 -2.131949 0.774119
H -4.418086 -0.194715 2.154698
H -5.273944 -1.716494 1.771879
H -3.484477 -1.678412 1.878036
H -4.370841 -1.837830 -1.903011
H -5.356073 -2.593151 -0.613811
H -3.586023 -2.784277 -0.594414
H -4.436653 3.161029 0.639374
H -4.867084 2.229653 -0.832926
H -5.305287 1.618233 0.795590
H -1.060838 2.044718 -0.193986
H -2.193498 3.383928 0.058595
H -2.270027 2.443899 -1.466798
H 0.656680 -2.511148 0.652928
H 0.022336 -2.490871 -1.051489
H -0.196341 0.236958 1.323972
H 2.625337 -2.872258 -0.815700
H 5.012790 1.328885 0.504044
H 5.118861 -2.850224 -0.632235
H 6.321053 -0.727113 -0.012119
H 3.588812 3.163285 -0.287128
H 3.756503 3.013849 1.484739
H 2.289362 3.773236 0.806006


