%chk=000100110.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100110

0 1
 O   -2.666800      -1.050800     -0.7889000    
 O   -2.101900      -2.455600      -2.515800    
 O  -0.5066000      -4.099200       1.606100    
 O   0.7509000      -5.575700      0.4446000    
 N   -1.044800      -2.586000     -0.4549000    
 N    2.768400     -0.5902000      0.9502000    
 N    2.831700      -2.784400      0.6136000    
 C   -3.780600       1.027200      -1.174500    
 C   -4.095700       1.167200      0.3080000    
 C   -2.476200       1.804100      -1.283800    
 C   -3.103100       1.940100      0.9519000    
 C   -2.109500       2.330900     -2.4800001E-02
 C   -3.637200     -0.4256000      -1.610000    
 C   -5.180700      0.6637000       1.007100    
 C   -1.703100       2.031100      -2.410800    
 C   -3.187100       2.206800       2.308900    
 C  -0.9552000       3.084200      0.1153000    
 C   -5.264700      0.9324000       2.374500    
 C  -0.5401000       2.790200      -2.269200    
 C   -4.277200       1.695800       3.019200    
 C  -0.1693000       3.310800      -1.018200    
 C  -0.1395000      -3.671800     -0.7530000    
 C    1.203500      -3.151800      -1.284900    
 C   -1.947800      -2.071400      -1.361200    
 C    1.940100      -2.291900     -0.2971000    
 C    1.917700     -0.9358000     -7.0000000E-02
 C    3.004700      0.7351000       1.462100    
 C   8.7800004E-02  -4.544200      0.4730000    
 C    3.302800      -1.726200       1.339800    
 C    4.133600       1.412200      0.7329000    
 C    3.870700       2.175000     -0.4050000    
 C    5.442900       1.277400       1.195000    
 C    4.917000       2.802900      -1.080700    
 C    6.489000       1.905500      0.5193000    
 C    6.226100       2.668300     -0.6187000    
 H   -4.553700       1.542100      -1.757000    
 H   -4.586100     -0.9592000      -1.484600    
 H   -3.362500     -0.4627000      -2.671000    
 H   -5.947600      7.7900000E-02  0.5125000    
 H   -1.987500       1.634500      -3.379200    
 H   -2.433500       2.796300       2.820400    
 H  -0.6561000       3.494100       1.074200    
 H   -6.104100      0.5485000       2.948300    
 H   8.6800002E-02   2.982300      -3.135900    
 H   -4.364100       1.892300       4.084700    
 H   0.7399000       3.900000     -0.9324000    
 H  -0.6143000      -4.304900      -1.512000    
 H    1.039500      -2.571100      -2.201300    
 H    1.849300      -3.996200      -1.556500    
 H   -1.012300      -2.167100      0.4700000    
 H    1.343700     -0.1660000     -0.5695000    
 H    2.075700       1.311000       1.370800    
 H    3.221000      0.6561000       2.534400    
 H    4.028300      -1.834500       2.135700    
 H    2.856200       2.285200     -0.7770000    
 H    5.661000      0.6857000       2.080100    
 H  -0.3347000      -4.692800       2.367900    
 H    4.712300       3.396100      -1.967200    
 H    7.508500       1.800400      0.8788000    
 H    7.040700       3.157000      -1.145000    


%chk=000100110-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100110

0 1
O -2.870122 -1.500605 -0.416967
O -2.119833 -2.144241 -2.572745
O 0.000918 -4.756874 0.956606
O 0.990887 -5.937558 -0.786259
N -1.202963 -3.031820 -0.606180
N 2.252262 -0.563511 0.732313
N 2.632311 -2.723254 0.155531
C -3.588825 0.867095 -0.775651
C -3.634811 1.327874 0.683376
C -2.225527 1.384018 -1.242069
C -2.480379 2.108265 0.989051
C -1.612232 2.149217 -0.203756
C -3.883886 -0.623002 -1.037515
C -4.628793 1.113781 1.652420
C -1.590014 1.225596 -2.485593
C -2.322704 2.685439 2.268265
C -0.369588 2.786053 -0.421395
C -4.467053 1.685025 2.940065
C -0.337650 1.857296 -2.699714
C -3.324650 2.467310 3.242685
C 0.262134 2.638061 -1.679571
C -0.187776 -3.839249 -1.286432
C 1.025981 -2.976861 -1.803519
C -2.053136 -2.228364 -1.314948
C 1.677194 -2.166797 -0.721821
C 1.434571 -0.834076 -0.374569
C 2.368971 0.727192 1.429422
C 0.329410 -4.958526 -0.390926
C 2.958044 -1.732485 1.008735
C 3.561873 1.578408 0.991078
C 4.098533 1.485672 -0.316456
C 4.116917 2.513917 1.899621
C 5.171277 2.318282 -0.707903
C 5.185590 3.350812 1.507159
C 5.716282 3.255528 0.199927
H -4.382173 1.412694 -1.336568
H -4.847156 -0.908466 -0.579622
H -3.912600 -0.831560 -2.122388
H -5.519037 0.514207 1.428236
H -2.038814 0.610251 -3.272396
H -1.443579 3.294646 2.508027
H 0.095013 3.400340 0.359181
H -5.231641 1.522726 3.707913
H 0.170405 1.741543 -3.663303
H -3.218896 2.905565 4.241453
H 1.225641 3.126388 -1.864693
H -0.641682 -4.313682 -2.176007
H 0.624337 -2.319005 -2.593551
H 1.756360 -3.667852 -2.260565
H -1.210167 -3.005894 0.415085
H 0.772904 -0.084605 -0.802086
H 1.427332 1.278117 1.246472
H 2.423233 0.538191 2.517382
H 3.683509 -1.803677 1.816097
H 3.687147 0.754323 -1.021407
H 3.716923 2.585967 2.919451
H 0.444514 -5.450521 1.513619
H 5.584013 2.232038 -1.719318
H 5.608084 4.067279 2.220572
H 6.549312 3.898667 -0.104650


