%chk=000160876.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160876

1 1
 O    4.866400      -1.387000     -0.1798000    
 O    6.177900      0.6245000     -2.4499999E-02
 O   -4.478600       2.045100     -0.5077000    
 O   -5.751300     -0.3044000      0.2503000    
 N   0.5452000      -1.314300     -0.1118000    
 C  -0.2170000      -2.581600     -0.2491000    
 C  -9.4200000E-02 -0.1121000     -1.5900001E-02
 C   -1.423100      -2.558300      0.6702000    
 C   -1.569300     -0.1454000      1.5799999E-02
 C   -2.240100      -1.336200      0.3626000    
 C    2.692700     -0.2430000     -5.3599998E-02
 C    1.895900      -1.386900     -0.1403000    
 C    2.071300       1.012100      6.1200000E-02
 C   0.6738000       1.062000      8.0100000E-02
 C   -2.358900      0.9808000     -0.2786000    
 C   -3.638800      -1.380100      0.4497000    
 C    4.085600     -0.2734000     -7.4500002E-02
 C    2.863700       2.182300      0.1539000    
 C   -3.754600      0.9301000     -0.2077000    
 C   -4.393700     -0.2478000      0.1622000    
 C    4.840600      0.8740000      1.4900000E-02
 C    4.259200       2.117400      0.1307000    
 C    6.186600     -0.8106000     -0.1485000    
 C   -4.776700       2.932400      0.5680000    
 C   -6.462800     -0.6795000     -0.9279000    
 H   0.4326000      -3.424200      9.2000002E-03
 H  -0.4957000      -2.656700      -1.307300    
 H   -1.111700      -2.522600       1.720900    
 H   -2.010500      -3.470600      0.5188000    
 H    2.321900      -2.379500     -0.2390000    
 H   0.1860000       2.028700      0.1852000    
 H   -1.897800       1.919200     -0.5788000    
 H   -4.137400      -2.302500      0.7383000    
 H    2.388500       3.157600      0.2439000    
 H    4.857600       3.018700      0.2012000    
 H    6.709700      -1.080500      -1.073100    
 H    6.734300      -1.233500      0.7015000    
 H   -5.361200       3.767100      0.1716000    
 H   -3.854500       3.327600       1.005900    
 H   -5.369100       2.423600       1.335000    
 H   -7.531900     -0.6730000     -0.6990000    
 H   -6.178000      -1.688500      -1.242500    
 H   -6.273400      3.4000002E-02  -1.736100    


%chk=000160876-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160876

1 1
O 5.054508 -1.388368 -0.100948
O 6.299682 0.669790 -0.072452
O -4.417556 2.057615 -0.540155
O -5.768541 -0.471581 0.224414
N 0.646371 -1.412753 -0.058608
C -0.135182 -2.695783 -0.149690
C -0.066850 -0.188562 -0.018893
C -1.353989 -2.644672 0.780114
C -1.538163 -0.240052 0.016966
C -2.203536 -1.436598 0.428081
C 2.785332 -0.289222 -0.056318
C 2.004717 -1.462595 -0.071746
C 2.109245 1.008306 -0.022386
C 0.687044 0.995389 0.005154
C -2.317816 0.906687 -0.294401
C -3.606695 -1.469772 0.485248
C 4.201047 -0.278839 -0.070146
C 2.879750 2.214066 -0.002133
C -3.720335 0.881473 -0.213143
C -4.384987 -0.338970 0.140806
C 4.919183 0.919380 -0.053306
C 4.284937 2.182978 -0.018989
C 6.447497 -0.815334 -0.105306
C -5.203259 2.657279 0.573753
C -6.579387 -0.067823 -0.960311
H 0.544632 -3.523412 0.108008
H -0.459634 -2.810875 -1.200690
H -1.022560 -2.600360 1.836561
H -1.927472 -3.579787 0.662037
H 2.468438 -2.451559 -0.101440
H 0.154243 1.946715 0.070161
H -1.864661 1.849128 -0.616322
H -4.138071 -2.382637 0.772918
H 2.362536 3.177601 0.026075
H 4.878588 3.100314 -0.005285
H 6.948025 -1.110556 -1.040604
H 6.969592 -1.149113 0.804860
H -5.734551 3.508602 0.125120
H -4.517893 3.011481 1.364980
H -5.921039 1.930980 0.994648
H -7.620018 -0.075867 -0.607441
H -6.443327 -0.819036 -1.758246
H -6.290648 0.931345 -1.325544


