%chk=000055281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055281

0 1
 O   -1.760700     -0.4611000       1.024300    
 O   -1.427100     -8.1299998E-02  -1.932900    
 O   -4.422100      0.7451000     -0.1052000    
 O   -2.139200      -3.220600       1.080000    
 O  -0.2736000       3.313400      0.4191000    
 O    3.940600       1.518300      5.2999998E-03
 N  -8.8900000E-02  0.9910000      0.2562000    
 N    1.822200       2.405000      0.2119000    
 C   -2.200700      0.6705000      -1.005200    
 C   -3.435700     -0.1296000     -0.6480000    
 C   -1.501900      0.7727000      0.3417000    
 C   -2.949400      -1.058200      0.4662000    
 C   -2.584200      -2.452000     -2.4400000E-02
 C   0.7778000     -9.1899998E-02  0.1255000    
 C   0.4293000       2.307000      0.3042000    
 C    2.109200      8.3999997E-03  3.7999999E-02
 C    2.724900       1.360100      8.1000000E-02
 C    2.922800      -1.149700     -9.3400002E-02
 C    3.610000      -2.127900     -0.2045000    
 C    4.447000      -3.319200     -0.3397000    
 H   -2.404500       1.657200      -1.432500    
 H   -3.885000     -0.6678000      -1.487600    
 H   -1.956400       1.569300      0.9434000    
 H   -3.676300      -1.136500       1.283300    
 H   -1.770100      -2.422900     -0.7544000    
 H   -3.451400      -2.948100     -0.4711000    
 H   -1.946700     -0.1576000      -2.751400    
 H   -4.080300       1.141100      0.7135000    
 H   0.3129000      -1.072200      8.2699999E-02
 H   -1.916100      -4.104900      0.7427000    
 H    2.213000       3.342600      0.2446000    
 H    4.641100      -3.771500      0.6375000    
 H    3.958400      -4.068700     -0.9695000    
 H    5.409900      -3.068600     -0.7950000    


%chk=000055281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055281

0 1
O -1.902550 -0.461688 1.257677
O -2.217393 1.033615 -1.815003
O -4.748299 0.263085 0.720438
O -1.152961 -2.931161 -0.063309
O -0.462806 2.951696 -0.761763
O 3.773178 1.003264 -1.065820
N -0.171370 0.790996 0.116751
N 1.643157 1.926410 -0.859633
C -2.696700 1.089023 -0.443797
C -3.693131 -0.088882 -0.232053
C -1.585992 0.821125 0.651133
C -2.802974 -1.219606 0.315260
C -2.038202 -1.989491 -0.764077
C 0.656517 -0.303870 0.346783
C 0.293970 1.956078 -0.516605
C 1.992748 -0.330706 -0.026802
C 2.583817 0.859572 -0.678833
C 2.815817 -1.473050 0.204919
C 3.577043 -2.430246 0.383173
C 4.493650 -3.556062 0.600696
H -3.197258 2.049879 -0.231274
H -4.210993 -0.326184 -1.172028
H -1.612353 1.584375 1.447575
H -3.353194 -1.920658 0.962940
H -1.476014 -1.296974 -1.420576
H -2.784484 -2.532101 -1.382942
H -1.744171 1.891786 -1.990601
H -4.355828 0.303916 1.631687
H 0.174701 -1.156275 0.833235
H -0.587681 -3.408048 -0.721104
H 2.004326 2.769948 -1.317561
H 4.747229 -3.665130 1.671601
H 4.050566 -4.510753 0.261631
H 5.436435 -3.402482 0.044583


