%chk=000178754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178754

0 1
 O    4.334400     -0.7746000      0.9150000    
 O    2.422300      -1.625900      -2.007400    
 O    3.958600      -3.384300     -0.6170000    
 O    7.072800     -0.1781000       1.004700    
 O   -3.187300      -2.967700       1.649300    
 O  -9.4899997E-02   4.295400      0.3902000    
 N    2.571500      0.6494000      0.2117000    
 N   -5.532600     -0.2480000     -0.7945000    
 N   -2.106700      0.1279000     -5.4400001E-02
 N   0.1756000      0.2576000      6.5499999E-02
 N    2.494500       2.885100      0.3946000    
 N   -1.161500       2.249700      0.1684000    
 C    3.132200     -0.6970000      0.1249000    
 C    3.523800      -1.116000      -1.284000    
 C    4.585300      -2.161200      -1.003700    
 C    5.307900      -1.575000      0.2052000    
 C   -3.463200      0.6158000     -0.1007000    
 C   -3.807000       1.117500      -1.535000    
 C   -4.529500     -0.3904000      0.1177000    
 C   -5.305500      0.8288000      -1.737700    
 C    6.477200     -0.6794000     -0.1791000    
 C    1.269200       1.015300      0.1802000    
 C   -4.860500      -1.431300      0.9447000    
 C   -6.508500      -1.159700     -0.6135000    
 C   -1.040100      0.9388000      6.4900003E-02
 C    3.280300       1.822600      0.3438000    
 C   -6.119800      -1.922100      0.4773000    
 C    1.231100       2.374600      0.2918000    
 C   -4.082000      -1.943800       2.086600    
 C  -3.7300002E-02   3.075800      0.2904000    
 H    2.396700      -1.378400      0.5694000    
 H    3.959800     -0.2802000      -1.844600    
 H    5.236100      -2.374200      -1.856400    
 H    5.643900      -2.351600      0.9016000    
 H   -3.614400       1.425400      0.6253000    
 H   -3.231100      0.5588000      -2.285900    
 H   -3.570500       2.177700      -1.672900    
 H   -5.935800       1.671200      -1.438900    
 H   -5.543100      0.4897000      -2.748600    
 H    6.159200      0.1782000     -0.7800000    
 H    7.235000      -1.238100     -0.7363000    
 H   -1.963800     -0.8697000     -0.1841000    
 H   -7.385200      -1.207500      -1.244100    
 H    4.360500       1.845100      0.3924000    
 H   -6.685400      -2.745300      0.8922000    
 H   0.2004000     -0.7531000     -2.0900000E-02
 H    1.764300     -0.9140000      -2.082200    
 H    3.413200      -3.678000      -1.366600    
 H   -3.492000      -1.147000       2.551900    
 H   -4.742800      -2.369100       2.849300    
 H    6.389000      0.3131000       1.491500    
 H   -2.698600      -3.270800       2.433500    


%chk=000178754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178754

0 1
O 2.419863 -1.435542 -1.204553
O 5.775592 -0.550715 -1.968989
O 5.022439 -3.028451 -1.246198
O 1.175459 -1.362954 1.355390
O -1.393491 -2.216818 1.035841
O -0.193090 4.507200 -0.970054
N 2.730729 0.899835 -1.583117
N -5.263706 -0.413491 0.604849
N -1.890954 0.161675 -0.293875
N 0.358438 0.360783 -0.922911
N 2.539888 3.182905 -1.627277
N -1.040968 2.346167 -0.610338
C 3.334993 -0.441520 -1.756461
C 4.681392 -0.590054 -0.994131
C 4.578073 -1.999798 -0.320326
C 3.072004 -2.158938 -0.061657
C -3.168759 0.655572 0.247611
C -4.208347 1.147800 -0.824454
C -3.911006 -0.478534 0.912646
C -5.605603 0.736838 -0.261465
C 2.621853 -1.562551 1.293343
C 1.408217 1.213098 -1.269914
C -3.680710 -1.632370 1.681306
C -5.936617 -1.486136 1.180015
C -0.882166 1.029196 -0.618087
C 3.368747 2.148365 -1.810873
C -4.970539 -2.264084 1.844775
C 1.298629 2.612759 -1.280211
C -2.351059 -2.119342 2.181376
C 0.006143 3.263038 -0.957376
H 3.481932 -0.653950 -2.831181
H 4.784110 0.206197 -0.234198
H 5.172467 -2.042715 0.616207
H 2.753202 -3.207640 -0.163971
H -2.948025 1.493810 0.940014
H -4.009253 0.609330 -1.767397
H -4.119554 2.228764 -1.010863
H -6.064186 1.547164 0.336589
H -6.315466 0.439492 -1.052360
H 3.140845 -0.603152 1.503454
H 2.869145 -2.270179 2.102815
H -1.660107 -0.823412 -0.009208
H -7.009774 -1.626615 1.074775
H 4.406344 2.211637 -2.130961
H -5.166389 -3.191413 2.382809
H 0.359442 -0.601667 -1.281233
H 6.592170 -0.163952 -1.566426
H 5.644345 -2.594140 -1.894434
H -1.920861 -1.428792 2.937189
H -2.464374 -3.118231 2.644357
H 0.919418 -0.623159 0.728705
H -0.445171 -2.229309 1.365937


