%chk=000100086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100086

0 1
 O    1.719500      0.8420000      -1.677700    
 O   -2.078400      5.2299999E-02  0.2091000    
 O  -0.3841000      0.5532000       1.676500    
 O    5.785600      0.2917000      0.6686000    
 O    6.451800       2.266300     -0.2100000    
 N  -9.2000002E-03 -0.7098000     -0.2338000    
 N    3.255400      0.6094000      4.8400000E-02
 C    1.864100      -2.242200     -0.7249000    
 C    1.158900      -3.514100     -0.2116000    
 C    1.402100     -0.9382000     -6.1999999E-02
 C    1.410600      -3.673300       1.290400    
 C    1.619700      -4.773100     -0.9474000    
 C    2.128200      0.2532000     -0.6789000    
 C    4.094900       1.735500     -0.2917000    
 C  -0.7851000      1.6500000E-02  0.6490000    
 C    3.603400       2.997600      0.4010000    
 C    5.551800       1.475900      5.3700000E-02
 C   -2.998500      0.7767000       1.033300    
 C   -4.363200      0.7180000      0.4123000    
 C   -4.758500       1.699400     -0.4968000    
 C   -5.236600     -0.3180000      0.7437000    
 C   -6.027100       1.644800      -1.074300    
 C   -6.505000     -0.3726000      0.1661000    
 C   -6.900300      0.6089000     -0.7430000    
 H    1.700200      -2.170700      -1.809200    
 H    2.949600      -2.347300     -0.5948000    
 H   7.8000002E-02  -3.418400     -0.3720000    
 H    1.615000     -0.9548000       1.012500    
 H    2.481500      -3.663100       1.520200    
 H    1.000100      -4.622900       1.651500    
 H   0.9255000      -2.881300       1.868400    
 H    1.427800      -4.683400      -2.021700    
 H    1.085000      -5.657000     -0.5841000    
 H    2.692700      -4.943000     -0.8082000    
 H  -0.4568000      -1.057400      -1.076900    
 H    3.506200      6.6699997E-02  0.8699000    
 H    4.047600       1.870200      -1.378800    
 H    2.564500       3.216300      0.1315000    
 H    4.215100       3.863300      0.1259000    
 H    3.649400       2.892400       1.491000    
 H   -3.020800      0.3368000       2.038200    
 H   -2.669900       1.819200       1.127000    
 H   -4.086400       2.510200     -0.7647000    
 H   -4.939400      -1.089600       1.449000    
 H    6.737600      0.1635000      0.8680000    
 H   -6.334700       2.408500      -1.782500    
 H   -7.184800      -1.179500      0.4235000    
 H   -7.887800      0.5662000      -1.192900    


%chk=000100086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100086

0 1
O 3.257616 -0.372565 -1.815657
O -1.642754 -0.155434 0.347372
O 0.280414 0.138026 1.686964
O 3.563345 2.107608 2.277101
O 4.920316 3.549583 1.063107
N 0.322684 -1.107752 -0.298327
N 2.770292 0.704249 0.191795
C 2.015320 -2.800218 -0.968998
C 1.192010 -4.031137 -0.506319
C 1.744505 -1.501060 -0.188160
C 1.464956 -4.396572 0.972531
C 1.496485 -5.233836 -1.431139
C 2.663263 -0.347249 -0.692355
C 3.571293 1.885178 -0.149735
C -0.289213 -0.340058 0.660062
C 2.791475 2.901192 -1.033960
C 4.110187 2.599391 1.085405
C -2.409402 0.686360 1.329549
C -3.774637 0.937151 0.739746
C -3.974714 1.993426 -0.185138
C -4.875545 0.120272 1.099187
C -5.250021 2.225634 -0.744932
C -6.153829 0.350828 0.543005
C -6.343227 1.404173 -0.381228
H 1.847636 -2.607097 -2.046882
H 3.094636 -3.027175 -0.874833
H 0.111409 -3.792493 -0.602060
H 1.949032 -1.646486 0.888841
H 2.541888 -4.598606 1.133099
H 0.905482 -5.305976 1.259580
H 1.161429 -3.589790 1.664345
H 1.278333 -4.995637 -2.489059
H 0.893173 -6.116172 -1.148572
H 2.564229 -5.518911 -1.363868
H -0.213527 -1.378533 -1.124239
H 2.214982 0.696583 1.060391
H 4.441877 1.537500 -0.738549
H 2.486218 2.395267 -1.964427
H 3.434697 3.761258 -1.285493
H 1.891212 3.265769 -0.508763
H -2.459441 0.132046 2.283230
H -1.838089 1.616836 1.495499
H -3.128379 2.630883 -0.468246
H -4.730015 -0.699158 1.813576
H 3.923286 2.623315 3.048354
H -5.393501 3.044721 -1.458256
H -6.997973 -0.286110 0.829396
H -7.334215 1.585776 -0.812141


