%chk=000115395.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115395

0 1
 O    1.507700       1.391800      0.7562000    
 O    2.759700      0.9226000      -1.124300    
 N   -2.421500      0.5295000     -0.3509000    
 C   0.4807000      0.4941000      0.3026000    
 C  -9.7400002E-02   1.106800     -0.9941000    
 C  -0.6474000      0.5298000       1.359100    
 C   -1.425000      0.4732000      -1.427600    
 C   -1.933000     -0.1351000      0.8632000    
 C   -3.685200     -6.2300000E-02 -0.7885000    
 C    1.133000     -0.8852000      0.1821000    
 C   -4.783100      3.7200000E-02  0.2845000    
 C    1.183200      -1.525500      -1.055200    
 C    1.675500      -1.499500       1.309900    
 C   -5.007200       1.504500      0.6597000    
 C   -6.106000     -0.5856000     -0.1692000    
 C    2.597700       1.508900     -6.2899999E-02
 C    1.777600      -2.782600      -1.165100    
 C    2.269700      -2.756700       1.200000    
 C    3.575500       2.482200      0.5526000    
 C    2.320900      -3.398200     -3.7500001E-02
 C    4.824700       2.650200     -0.2945000    
 H   0.5866000       1.079200      -1.847400    
 H  -0.2714000       2.180500     -0.8246000    
 H  -0.8621000       1.576500       1.620800    
 H  -0.3348000      6.8599999E-02   2.303100    
 H   -1.796100       1.037700      -2.292400    
 H   -1.286500     -0.5592000      -1.764400    
 H   -1.768600      -1.206900      0.6945000    
 H   -2.636800     -3.7300002E-02   1.693700    
 H   -3.545200      -1.117100      -1.061500    
 H   -4.034500      0.4531000      -1.693100    
 H   -4.504300     -0.5197000       1.184800    
 H   0.8040000      -1.087000      -1.969600    
 H    1.661200      -1.012100       2.280500    
 H   -5.280200       2.102300     -0.2170000    
 H   -5.820200       1.594600       1.388800    
 H   -4.119400       1.953600       1.115700    
 H   -6.498400     -7.8100003E-02  -1.057000    
 H   -6.861500     -0.5212000      0.6210000    
 H   -5.968600      -1.643200     -0.4175000    
 H    1.823600      -3.280000      -2.129500    
 H    2.696500      -3.234400       2.077100    
 H    3.077000       3.451200      0.6613000    
 H    3.857100       2.109800       1.543200    
 H    2.785800      -4.376000     -0.1235000    
 H    4.575500       3.027300      -1.292000    
 H    5.512900       3.358300      0.1772000    
 H    5.346700       1.695600     -0.4184000    


%chk=000115395-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115395

0 1
O 1.577339 1.294377 0.741202
O 2.881677 1.160358 -1.204976
N -2.434625 0.335849 -0.257358
C 0.511165 0.323413 0.214326
C -0.135294 0.919423 -1.058574
C -0.540595 0.363055 1.350798
C -1.491736 0.260801 -1.399757
C -1.853152 -0.328490 0.934062
C -3.785631 -0.171588 -0.605476
C 1.171950 -1.057704 0.063718
C -4.907374 0.326216 0.342681
C 1.250558 -1.743812 -1.172830
C 1.754914 -1.667113 1.207210
C -5.030939 1.865212 0.294402
C -6.243511 -0.362124 -0.020994
C 2.701346 1.580745 -0.039810
C 1.872294 -3.009022 -1.262411
C 2.383425 -2.927068 1.121269
C 3.668506 2.456294 0.748405
C 2.438681 -3.609541 -0.116172
C 4.656923 3.213348 -0.158670
H 0.550177 0.857152 -1.918938
H -0.318269 1.990903 -0.854875
H -0.753007 1.423071 1.577984
H -0.141673 -0.107284 2.265974
H -1.938222 0.798996 -2.256655
H -1.333184 -0.799530 -1.723446
H -1.667182 -1.417861 0.744363
H -2.570381 -0.261242 1.770554
H -3.803904 -1.292725 -0.638641
H -4.022509 0.181081 -1.629670
H -4.647939 0.032484 1.381251
H 0.851423 -1.286223 -2.082138
H 1.737141 -1.141734 2.168712
H -5.382310 2.194783 -0.703288
H -5.753987 2.232999 1.046114
H -4.049281 2.334424 0.481481
H -6.543462 -0.113724 -1.057835
H -7.055434 -0.028396 0.650926
H -6.168084 -1.463532 0.055968
H 1.924269 -3.519562 -2.230631
H 2.831625 -3.374584 2.015706
H 3.084765 3.142283 1.387607
H 4.218375 1.786892 1.440898
H 2.924260 -4.589327 -0.186674
H 4.130750 3.942859 -0.799194
H 5.399073 3.759177 0.450242
H 5.189447 2.512193 -0.822940


