%chk=000001797.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001797

0 1
 O   0.6646000      -1.957700      0.7246000    
 N    5.759500     -0.5974000     -0.8041000    
 N    3.270600       4.609500      0.1556000    
 C   -4.109600     -0.8633000      8.8200003E-02
 C   -5.157400      0.2511000      5.5599999E-02
 C   -2.714000     -0.3035000      0.3749000    
 C   -6.580400     -0.2568000     -0.1969000    
 C   -1.669000      -1.421400      0.4368000    
 C   -7.677200      0.8121000     -0.2185000    
 C  -0.2662000     -0.8853000      0.6955000    
 C   -9.080900      0.2401000     -0.4181000    
 C    3.777200     -0.1089000      9.5399998E-02
 C    4.601400       1.050500      0.1289000    
 C    4.527600      -1.128300     -0.4948000    
 C    4.233000       2.375800      0.6660000    
 C    1.945000      -1.677300      0.3227000    
 C    2.460800     -0.3900000      0.5117000    
 C    5.813800      0.7187000     -0.4308000    
 C   -10.13970       1.329500     -0.3411000    
 C    4.025200      -2.419700     -0.6903000    
 C    2.716900      -2.675000     -0.2694000    
 C    3.598800       3.297500     -0.3918000    
 H   -4.106400      -1.392400     -0.8723000    
 H   -4.378200      -1.594600      0.8601000    
 H   -4.894200      0.9755000     -0.7250000    
 H   -5.139600      0.7933000       1.009100    
 H   -2.439300      0.4145000     -0.4073000    
 H   -2.722100      0.2410000       1.326900    
 H   -6.597300     -0.7954000      -1.152800    
 H   -6.827700     -0.9948000      0.5770000    
 H   -1.931400      -2.141500       1.222100    
 H   -1.669700      -1.989800     -0.5019000    
 H   -7.644600       1.367600      0.7271000    
 H   -7.459700       1.533300      -1.015800    
 H  -3.5399999E-02 -0.1725000     -0.1071000    
 H  -0.2401000     -0.3637000       1.659500    
 H   -9.287400     -0.5146000      0.3496000    
 H   -9.142100     -0.2607000      -1.391000    
 H    5.127600       2.862400       1.077500    
 H    3.541700       2.257100       1.510300    
 H    1.891300      0.3974000      0.9945000    
 H    6.710400       1.299300     -0.5980000    
 H    6.514200      -1.106300      -1.243400    
 H   -10.12500       1.823200      0.6359000    
 H   -9.977800       2.088700      -1.112800    
 H   -11.13570      0.9007000     -0.4897000    
 H    4.625400      -3.197100      -1.151100    
 H    2.301400      -3.670200     -0.4097000    
 H    4.288400       3.429400      -1.233600    
 H    2.687600       2.836600     -0.7912000    
 H    2.799100       5.164800     -0.5571000    
 H    2.607000       4.503800      0.9218000    


%chk=000001797-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001797

0 1
O 0.632226 -1.831509 -0.294087
N 6.104613 -0.780721 0.146315
N 3.474963 4.605470 -0.181630
C -4.258539 -0.824805 -0.171431
C -5.361183 0.239720 0.024528
C -2.829829 -0.253064 -0.029566
C -6.792400 -0.327739 -0.110445
C -1.731202 -1.321364 -0.232993
C -7.893587 0.739387 0.081425
C -0.325229 -0.737231 -0.076467
C -9.326129 0.173172 -0.049693
C 3.928468 -0.086005 0.201877
C 4.779977 1.056594 0.492648
C 4.783481 -1.221697 -0.009931
C 4.338077 2.473868 0.760840
C 2.005913 -1.525433 -0.180934
C 2.516413 -0.244984 0.114147
C 6.095636 0.588499 0.449991
C -10.418562 1.248171 0.138264
C 4.265868 -2.502571 -0.309765
C 2.871248 -2.643253 -0.393985
C 3.878369 3.224521 -0.517562
H -4.369658 -1.288778 -1.173554
H -4.400811 -1.641322 0.566697
H -5.219618 1.054483 -0.716339
H -5.246055 0.706829 1.025218
H -2.691794 0.567249 -0.765004
H -2.720642 0.206722 0.975228
H -6.907886 -0.797527 -1.109762
H -6.936091 -1.140024 0.632623
H -1.860372 -2.142281 0.498340
H -1.822066 -1.771378 -1.240282
H -7.777906 1.211504 1.079731
H -7.752573 1.550754 -0.663333
H -0.146601 0.069775 -0.819662
H -0.184415 -0.313452 0.941336
H -9.467836 -0.634626 0.697177
H -9.439871 -0.301855 -1.045664
H 5.153631 3.062579 1.218803
H 3.499721 2.476449 1.489821
H 1.856590 0.612276 0.276544
H 7.023031 1.133488 0.619128
H 6.934601 -1.362903 0.067088
H -10.343239 1.718360 1.137073
H -10.318626 2.050310 -0.617340
H -11.432689 0.818226 0.042672
H 4.919930 -3.366397 -0.472276
H 2.412089 -3.609845 -0.621918
H 4.729326 3.273617 -1.221850
H 3.082046 2.623751 -1.019832
H 3.344358 5.220083 -0.990719
H 2.685233 4.660107 0.470208


