%chk=000060086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060086

0 1
 O    2.258400      -2.884700       1.692100    
 O   6.1999999E-02  -1.685800      0.4798000    
 O   -1.154700      0.7494000     -8.2599998E-02
 O   -2.532600       3.872000      0.9944000    
 N    3.016400     -0.1887000     -0.7252000    
 C    3.516900       1.176500     -0.5333000    
 C    2.896900     -0.8730000      0.5511000    
 C    2.380300      -2.304600      0.3902000    
 C    3.614700       1.857800      -1.902400    
 C    2.532500       1.935700      0.3627000    
 C    4.898900       1.123300      0.1286000    
 C    1.023500      -2.383300     -0.3061000    
 C   -1.216700      -1.642700     -7.7999998E-03
 C   -1.821100     -0.4209000     -0.2868000    
 C   -1.902700      -2.834600     -0.2199000    
 C   -3.124400     -0.3907000     -0.7830000    
 C   -3.206000      -2.804300     -0.7161000    
 C   -3.816800      -1.582500     -0.9976000    
 C   -1.691100       1.649400      0.7940000    
 C   -2.046900       3.003500      0.2720000    
 C   -1.904400       1.361300       2.084500    
 C   -1.783000       3.266900      -1.188500    
 H    3.645400     -0.7092000      -1.336300    
 H    3.855800     -0.9591000       1.073300    
 H    2.212200     -0.3696000       1.241000    
 H    3.112900      -2.898200     -0.1697000    
 H    2.638200       1.894600      -2.399700    
 H    3.975400       2.888300      -1.807300    
 H    4.307200       1.326000      -2.565400    
 H    2.583800       1.649000       1.418100    
 H    1.498900       1.820300      1.7600000E-02
 H    2.753300       3.010400      0.3377000    
 H    4.866800      0.8541000       1.189400    
 H    5.569900      0.4261000     -0.3871000    
 H    5.375300       2.110800      8.6000003E-02
 H    1.066200      -1.958400      -1.315600    
 H   0.7389000      -3.438900     -0.3848000    
 H    1.961000      -3.803300       1.576700    
 H   -1.451800      -3.795100      1.1100000E-02
 H   -3.614900      0.5504000      -1.015700    
 H   -3.746800      -3.731900     -0.8794000    
 H   -4.831400      -1.559100      -1.384700    
 H   -1.645500      0.3892000       2.492100    
 H   -2.331700       2.079400       2.776100    
 H   -2.464400       2.676100      -1.805100    
 H  -0.7434000       3.034000      -1.434300    
 H   -1.950300       4.327200      -1.400800    


%chk=000060086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060086

0 1
O 1.144835 -1.257818 2.530128
O -0.212736 -0.850927 0.124015
O -2.136428 1.122857 0.320058
O -1.306508 2.646852 3.459483
N 3.451237 -0.525439 -0.369976
C 3.838434 0.590408 -1.297622
C 2.593230 -0.211362 0.794861
C 1.809606 -1.472190 1.239123
C 4.859805 -0.008075 -2.295599
C 2.586811 1.065982 -2.077263
C 4.486222 1.791526 -0.545483
C 0.801274 -1.931317 0.178423
C -1.415354 -1.083541 -0.537969
C -2.415041 -0.078865 -0.386998
C -1.696634 -2.215653 -1.339733
C -3.656028 -0.195672 -1.035083
C -2.949667 -2.332240 -1.984510
C -3.930663 -1.327200 -1.838490
C -1.918470 1.103338 1.715776
C -1.501807 2.466104 2.225502
C -2.075976 0.029823 2.538070
C -1.332455 3.572611 1.200665
H 4.290276 -1.048018 -0.078218
H 3.147096 0.165670 1.682379
H 1.864237 0.566567 0.507904
H 2.519730 -2.299984 1.423365
H 4.415140 -0.866533 -2.829755
H 5.169145 0.748635 -3.038077
H 5.770753 -0.358076 -1.771156
H 1.821375 1.501792 -1.409855
H 2.127885 0.215770 -2.612002
H 2.867341 1.840349 -2.814476
H 3.787472 2.220488 0.195827
H 5.400636 1.472044 -0.010112
H 4.765176 2.596259 -1.251037
H 1.298300 -2.036027 -0.804029
H 0.314079 -2.875332 0.488624
H 0.366149 -0.654982 2.379310
H -0.939095 -2.992546 -1.477594
H -4.390997 0.604372 -0.903132
H -3.151871 -3.210758 -2.606417
H -4.898145 -1.417919 -2.341725
H -2.397090 -0.951478 2.179254
H -1.906775 0.176149 3.608169
H -2.277295 3.736943 0.651415
H -0.584971 3.282055 0.439907
H -1.021137 4.498459 1.707352


