%chk=000129699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129699

0 1
 O  -0.8257000     -5.3800002E-02 -6.7100003E-02
 O   -5.422900      -2.403200      0.8704000    
 O   -6.155500       2.182500     -0.3019000    
 O    3.302700       2.715300      0.5370000    
 O    5.327300      0.9034000       1.055400    
 O   -7.099100     -0.2012000      0.7459000    
 N    4.866600      -1.840400      0.7895000    
 N    5.544700      -2.111100     -0.2248000    
 N    6.168400      -2.363600      -1.146700    
 C   -1.772200      0.1694000      -1.131300    
 C   0.2165000     -0.9233000     -0.5525000    
 C   -1.444200     -0.8455000      -2.218600    
 C   4.9800001E-02 -0.9920000      -2.064800    
 C   -3.190400      7.0500001E-02 -0.6318000    
 C    1.577500     -0.4385000     -0.1246000    
 C   -4.031600       1.181400     -0.6961000    
 C   -3.662100      -1.131700     -0.1048000    
 C    1.819900      0.9284000      1.1500000E-02
 C    2.595100      -1.356400      0.1356000    
 C   -4.974800      -1.223100      0.3578000    
 C   -5.344300       1.090100     -0.2335000    
 C    3.079600       1.377400      0.4078000    
 C    3.854800     -0.9074000      0.5318000    
 C   -5.815900     -0.1122000      0.2934000    
 C    4.097100      0.4596000      0.6680000    
 C    6.272700       1.170700      2.2600001E-02
 C   -4.499100      -3.489300      0.8998000    
 C   -5.595300       3.372000     -0.8543000    
 C    2.209000       3.585000      0.2519000    
 C   -7.324400      0.1140000       2.117900    
 C    7.648100      0.9785000      0.5697000    
 C    8.527600      9.4200000E-02  8.6400002E-02
 H   -1.569200       1.179200      -1.510100    
 H   1.6799999E-02  -1.905800     -0.1057000    
 H   -1.915400      -1.820900      -2.055200    
 H   -1.742200     -0.5022000      -3.214200    
 H   0.5529000     -0.1533000      -2.562400    
 H   0.4428000      -1.918800      -2.493400    
 H   -3.612000       2.089700      -1.114800    
 H   -2.963200      -1.959200     -5.7900000E-02
 H    1.002300       1.603100     -0.2154000    
 H    2.407800      -2.422400      2.8700000E-02
 H    6.096600      0.5462000     -0.8607000    
 H    6.156800       2.216000     -0.2862000    
 H   -4.188900      -3.784200     -0.1085000    
 H   -3.646900      -3.277200       1.554600    
 H   -5.024800      -4.346900       1.332500    
 H   -6.378400       4.137200     -0.8310000    
 H   -5.315400       3.237100      -1.904700    
 H   -4.766400       3.748900     -0.2454000    
 H    2.563500       4.609100      0.4092000    
 H    1.375900       3.428600      0.9458000    
 H    1.899700       3.515100     -0.7966000    
 H   -6.765100     -0.5673000       2.766900    
 H   -7.039600       1.150000       2.327300    
 H   -8.391500     -3.4000000E-03   2.325500    
 H    7.939800       1.593900       1.416700    
 H    9.511200      3.9999999E-04  0.5338000    
 H    8.295300     -0.5380000     -0.7618000    


%chk=000129699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129699

0 1
O -0.813743 -0.312018 -0.312748
O -5.282364 -1.623137 1.862529
O -6.513432 1.977252 -1.023426
O 3.563279 1.697248 1.293661
O 5.602671 -0.073139 0.497375
O -7.186516 0.105146 0.801058
N 4.937904 -2.361567 -1.103429
N 6.185114 -2.251663 -0.898391
N 7.360614 -2.397351 -0.853577
C -1.811761 0.239343 -1.271859
C 0.150720 -1.182644 -1.037814
C -1.656176 -0.635798 -2.545294
C -0.145411 -0.952906 -2.546679
C -3.200892 0.231851 -0.654737
C 1.579449 -0.865845 -0.616253
C -4.169239 1.141745 -1.135645
C -3.534998 -0.698130 0.350567
C 1.864986 0.293871 0.140445
C 2.623531 -1.731178 -0.995368
C -4.852302 -0.730668 0.865735
C -5.488741 1.110401 -0.619891
C 3.196010 0.591113 0.507490
C 3.964076 -1.425734 -0.651798
C -5.848558 0.166943 0.385475
C 4.268510 -0.255827 0.102494
C 6.259741 1.228250 0.133277
C -4.316769 -2.616838 2.338155
C -6.202556 2.930638 -2.088925
C 2.482784 2.540069 1.817670
C -7.442911 0.437261 2.217840
C 7.599826 1.250183 0.812381
C 8.772742 1.474618 0.171455
H -1.516275 1.284318 -1.508339
H -0.086250 -2.234158 -0.770172
H -2.255400 -1.558087 -2.436473
H -1.991978 -0.108615 -3.454020
H 0.438429 -0.089285 -2.914249
H 0.115960 -1.832727 -3.158256
H -3.888532 1.873189 -1.900643
H -2.750066 -1.357918 0.726911
H 1.025289 0.918663 0.452489
H 2.432660 -2.645720 -1.565868
H 6.356413 1.283492 -0.968521
H 5.609105 2.046031 0.493732
H -3.970024 -3.265325 1.510753
H -3.444546 -2.135307 2.820978
H -4.866253 -3.218604 3.077071
H -7.140404 3.478379 -2.262779
H -5.895688 2.412332 -3.018678
H -5.408794 3.640488 -1.781844
H 2.987135 3.302031 2.429836
H 1.788665 1.950770 2.445629
H 1.920096 3.027569 0.998721
H -6.930276 -0.275601 2.887003
H -7.116879 1.472582 2.436007
H -8.534213 0.357061 2.337103
H 7.577800 1.091448 1.898985
H 9.722490 1.520608 0.715064
H 8.818248 1.615497 -0.915613


