%chk=000157973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157973

0 1
 O   -1.288700       1.119900      -1.346400    
 O   -2.482300     -0.5786000     -0.1368000    
 O  -0.8928000      -2.169000       1.711300    
 O  -0.5084000      -2.450900     -0.9423000    
 O   -1.395100       2.022300       2.192200    
 O   -2.191900     -0.7119000      -2.448700    
 O    1.913600       2.730000     -0.7648000    
 N    1.618800      -1.173900      0.5613000    
 N    2.943700      0.5439000     -0.4449000    
 N    3.895700      -1.378600      0.4663000    
 C   0.3405000     -0.5424000      0.3177000    
 C   0.5810000      0.9882000      0.2278000    
 C  -0.7628000       1.668700     -0.1277000    
 C  -0.6558000     -0.7844000       1.476300    
 C   -1.987500     -8.7099999E-02   1.123400    
 C  -0.2672000      -1.046200      -1.007200    
 C   -1.806200       1.425700      0.9734000    
 C   -1.585200     -0.2851000      -1.224900    
 C    1.723100       1.310200     -0.7602000    
 C    2.807700     -0.6008000      0.1543000    
 H   0.9054000       1.368500       1.208600    
 H  -0.6172000       2.744700     -0.2699000    
 H  -0.2494000     -0.3806000       2.411800    
 H   -2.738700     -0.3154000       1.887300    
 H   0.4140000     -0.8915000      -1.850400    
 H   -2.762600       1.870600      0.6713000    
 H    1.429500       1.058200      -1.784500    
 H    1.618200      -2.112700      0.9492000    
 H   -1.533000      -2.237900       2.439800    
 H   -1.248000      -2.603900     -0.3306000    
 H   -1.270900       2.972300       2.026600    
 H   -1.645600      -1.412300      -2.842300    
 H    2.722500       2.897600      -1.277500    
 H    3.792300      -2.270600      0.9375000    
 H    4.836700      -1.081600      0.2316000    


%chk=000157973-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157973

0 1
O -1.359690 1.121172 -1.458607
O -2.566638 -0.550008 -0.160895
O -0.871941 -2.192857 1.614738
O -0.542756 -2.504278 -1.029527
O -1.330864 2.020312 2.214381
O -2.248540 -0.742682 -2.467030
O 2.040408 2.735354 -0.626754
N 1.610931 -1.186817 0.603654
N 2.935076 0.534119 -0.484113
N 3.947917 -1.383978 0.399928
C 0.333824 -0.528778 0.307927
C 0.563246 1.004846 0.164862
C -0.763954 1.688845 -0.208637
C -0.680844 -0.729858 1.464079
C -2.013613 -0.022809 1.106414
C -0.292410 -1.064176 -1.020378
C -1.803808 1.497167 0.927644
C -1.617153 -0.298802 -1.296398
C 1.729913 1.304020 -0.797178
C 2.812146 -0.619660 0.144382
H 0.877233 1.404907 1.148863
H -0.593163 2.751231 -0.444692
H -0.269958 -0.304990 2.398368
H -2.783294 -0.220890 1.871623
H 0.389941 -0.879482 -1.866377
H -2.765426 1.953071 0.623285
H 1.434605 1.150010 -1.856337
H 1.559761 -2.201594 0.720478
H -1.519162 -2.380397 2.338269
H -0.942144 -2.732885 -0.136439
H -1.329993 3.009614 2.187356
H -2.103405 -1.727657 -2.514318
H 3.030674 2.792014 -0.664951
H 3.955240 -2.083599 1.137789
H 4.831244 -1.005086 0.067191


