%chk=000057379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057379

0 1
 O    3.970200      -4.061700      0.3861000    
 O    2.575700       1.125000       1.661900    
 O    3.090900       1.113500      -2.914000    
 O   -3.864100      0.2832000       1.262700    
 N    3.160400      0.9018000     -0.5866000    
 N    3.903700      -1.226000      0.1504000    
 N    1.549100       2.143100      -1.498900    
 C    1.290500       2.267900     -7.3600002E-02
 C    4.314300      3.2800000E-02 -0.4681000    
 C    2.407600       1.364200      0.4722000    
 C  -9.0400003E-02   1.735900      0.2839000    
 C    2.662200       1.353600      -1.792800    
 C    3.234800      -2.094400     -0.8281000    
 C    5.059200      -1.921700      0.7341000    
 C    1.604800       3.703300      0.3673000    
 C    2.826600      -3.405600     -0.1626000    
 C    4.608600      -3.237500       1.362100    
 C  -0.4853000      0.4708000     -0.1512000    
 C  -0.9608000       2.514000       1.047100    
 C   -1.750400     -1.6100001E-02  0.1768000    
 C   -2.226100       2.027300       1.375200    
 C   -2.620900      0.7622000      0.9400000    
 C   -5.978100     -0.4734000      0.4306000    
 C   -4.465300     -0.6138000      0.3392000    
 C   -6.690900      -1.401700     -0.5503000    
 C   -8.207400      -1.224000     -0.4821000    
 C   -8.919100      -2.122300      -1.481300    
 H    5.010900      0.5631000      0.1927000    
 H    4.805800     -0.1072000      -1.437900    
 H   0.9850000       2.593000      -2.213500    
 H    2.335200      -1.614400      -1.227900    
 H    3.906800      -2.309600      -1.669200    
 H    5.810800      -2.123200     -4.0300000E-02
 H    5.526000      -1.303300       1.509200    
 H    2.618900       3.997200      6.7599997E-02
 H   0.9174000       4.423500     -9.1399997E-02
 H    1.556100       3.816800       1.456500    
 H    2.381900      -4.077200     -0.9039000    
 H    2.082600      -3.243900      0.6271000    
 H    3.925500      -3.070900       2.203900    
 H    5.476500      -3.784900       1.743400    
 H   0.1788000     -0.1571000     -0.7385000    
 H  -0.6972000       3.502500       1.407500    
 H   -2.007500      -1.016900     -0.1573000    
 H   -2.900500       2.637300       1.969800    
 H   -6.256600      0.5701000      0.2359000    
 H   -6.302800     -0.6837000       1.457300    
 H   -4.167300      -1.638900      0.5883000    
 H   -4.169500     -0.3893000     -0.6940000    
 H   -6.344700      -1.193900      -1.570100    
 H   -6.430900      -2.443500     -0.3272000    
 H   -8.470300     -0.1801000     -0.6888000    
 H   -8.564000      -1.454500      0.5285000    
 H   -10.00220      -1.980100      -1.414400    
 H   -8.702000      -3.177100      -1.284300    
 H   -8.609000      -1.892900      -2.505700    


%chk=000057379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057379

0 1
O 2.791017 -4.074345 0.154696
O 2.671844 1.473504 1.866734
O 3.671475 1.041186 -2.713432
O -3.744517 0.664679 0.810754
N 3.428065 1.026961 -0.333590
N 3.760260 -1.379306 -0.003869
N 2.090329 2.380365 -1.535615
C 1.631302 2.585755 -0.144877
C 4.390436 -0.075007 -0.050205
C 2.619640 1.640162 0.623501
C 0.186743 2.088759 0.066878
C 3.110036 1.451405 -1.666105
C 4.024812 -2.324102 -1.107898
C 3.603949 -2.030754 1.312593
C 1.856972 4.043786 0.323553
C 2.909662 -3.385105 -1.142335
C 2.498509 -3.097446 1.220329
C -0.392183 1.150296 -0.819905
C -0.572882 2.503216 1.193964
C -1.697510 0.651110 -0.617646
C -1.871836 2.013484 1.411492
C -2.444824 1.086129 0.505008
C -5.775012 -0.608273 0.471612
C -4.385634 -0.310460 -0.094521
C -6.553375 -1.617667 -0.403461
C -7.958673 -1.934340 0.157609
C -8.739395 -2.940425 -0.714723
H 4.862779 0.179403 0.916656
H 5.146045 -0.021115 -0.854834
H 1.683517 2.847971 -2.343437
H 4.041321 -1.770082 -2.064323
H 5.007759 -2.839750 -0.981755
H 4.551988 -2.520419 1.643565
H 3.321120 -1.269889 2.062510
H 2.875610 4.371642 0.054051
H 1.124338 4.722505 -0.147009
H 1.755456 4.114062 1.419083
H 3.131308 -4.177304 -1.876683
H 1.944043 -2.895031 -1.394719
H 1.525656 -2.600180 1.015987
H 2.430573 -3.688259 2.148713
H 0.178674 0.800807 -1.686752
H -0.148563 3.204675 1.918217
H -2.112011 -0.067750 -1.330064
H -2.459799 2.330087 2.278238
H -6.340985 0.339822 0.550153
H -5.665679 -1.003687 1.499650
H -3.769491 -1.232921 -0.142412
H -4.455802 0.122641 -1.114657
H -6.655890 -1.218768 -1.434546
H -5.976122 -2.562179 -0.489385
H -8.536016 -0.991655 0.245646
H -7.857232 -2.334297 1.186825
H -9.738985 -3.150034 -0.292084
H -8.197801 -3.901992 -0.793464
H -8.881520 -2.550571 -1.740412


