%chk=000079514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079514

0 1
 O    1.372900     -0.2771000      0.2682000    
 O    4.103800      0.3126000      0.4695000    
 N    7.587900      2.4200000E-02 -0.6745000    
 C   -4.246900      -1.177000      0.1440000    
 C   -4.927900       1.424000     -0.4312000    
 C   -5.084300      0.1234000      0.4238000    
 C   -2.724700     -0.9328000      0.1780000    
 C   -4.560800      -2.173800       1.297600    
 C   -4.737800      -1.868400      -1.145400    
 C   -5.838700       2.501400      0.2082000    
 C   -5.424900       1.224100      -1.876300    
 C   -3.499800       1.981500     -0.4621000    
 C   -1.942900      -1.250900     -0.9326000    
 C   -2.129300     -0.3944000       1.318900    
 C  -0.5660000      -1.030300     -0.9024000    
 C  -0.7524000     -0.1739000       1.349000    
 C   2.9300001E-02 -0.4918000      0.2383000    
 C    1.840400      0.8007000       1.077900    
 C    3.125200       1.344900      0.4837000    
 C    5.325800      0.7616000     -9.9399999E-02
 C    6.322800     -0.3861000     -8.3499998E-02
 C    8.348000      -1.141400      -1.132600    
 C    8.380200      0.7995000      0.2830000    
 H   -4.895400      0.4162000       1.467500    
 H   -6.147800     -0.1594000      0.4081000    
 H   -3.976200      -3.096500       1.197400    
 H   -4.346200      -1.756000       2.287400    
 H   -5.621300      -2.453100       1.295000    
 H   -4.307600      -2.872600      -1.248800    
 H   -4.488500      -1.321000      -2.055100    
 H   -5.827300      -1.992500      -1.131600    
 H   -5.798300       3.444700     -0.3485000    
 H   -6.884500       2.174000      0.2292000    
 H   -5.533400       2.714500       1.239100    
 H   -5.581000       2.188200      -2.375300    
 H   -6.376700      0.6831000      -1.902500    
 H   -4.696200      0.6838000      -2.485000    
 H   -3.088400       2.090600      0.5457000    
 H   -3.489400       2.981900     -0.9134000    
 H   -2.827200       1.378200      -1.073500    
 H   -2.352100      -1.672900      -1.843300    
 H   -2.713800     -0.1368000       2.197200    
 H   3.8800001E-02  -1.279900      -1.770000    
 H  -0.3256000      0.2226000       2.265400    
 H    1.117900       1.625100       1.119000    
 H    2.030000      0.4169000       2.086800    
 H    3.484700       2.189200       1.082100    
 H    2.944600       1.678400     -0.5449000    
 H    5.689600       1.613300      0.4850000    
 H    5.147900       1.093900      -1.129700    
 H    6.443300     -0.7865000      0.9320000    
 H    5.873600      -1.204000     -0.6640000    
 H    7.788200      -1.691100      -1.897600    
 H    8.581500      -1.829600     -0.3120000    
 H    9.288400     -0.8287000      -1.600100    
 H    8.607200      0.2292000       1.191300    
 H    9.330200       1.105700     -0.1704000    
 H    7.873800       1.725200      0.5727000    


%chk=000079514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079514

0 1
O 1.447310 0.830210 -0.318659
O 4.330077 0.595021 0.529878
N 7.810144 -0.465009 -0.355614
C -4.024240 -1.130111 0.017506
C -5.527002 1.171187 -0.329882
C -5.045972 -0.049011 0.535171
C -2.579255 -0.576492 -0.076437
C -4.017444 -2.269821 1.090947
C -4.489756 -1.773272 -1.314097
C -6.201855 2.164673 0.662693
C -6.602785 0.761471 -1.376425
C -4.364969 1.908713 -1.043919
C -1.778150 -0.711239 -1.242400
C -1.973531 0.046681 1.044856
C -0.451968 -0.240394 -1.293961
C -0.645971 0.527692 1.018081
C 0.122897 0.386224 -0.163845
C 2.091359 1.455005 0.845218
C 3.517223 1.808204 0.453310
C 5.698289 0.807937 0.040563
C 6.406823 -0.551992 0.114260
C 8.322187 -1.755355 -0.860283
C 8.721094 0.128901 0.644384
H -4.620694 0.369691 1.470328
H -5.960986 -0.598035 0.846119
H -3.266759 -3.039661 0.835039
H -3.772300 -1.878901 2.095190
H -5.010509 -2.755122 1.147074
H -3.876606 -2.661414 -1.557516
H -4.430251 -1.076498 -2.167636
H -5.539256 -2.106850 -1.223519
H -6.634267 3.026615 0.120307
H -7.017987 1.672702 1.226491
H -5.468988 2.554883 1.394321
H -7.027149 1.664057 -1.857086
H -7.435477 0.212474 -0.895475
H -6.192164 0.123047 -2.175760
H -3.586484 2.222031 -0.325158
H -4.749315 2.812803 -1.554766
H -3.876193 1.272380 -1.801743
H -2.186677 -1.193187 -2.135522
H -2.541589 0.164998 1.975216
H 0.155199 -0.350331 -2.198057
H -0.229455 0.999787 1.913108
H 1.534985 2.372372 1.130897
H 2.104657 0.753231 1.703139
H 3.914716 2.578492 1.153433
H 3.528218 2.228796 -0.575402
H 6.209852 1.572668 0.667164
H 5.688604 1.168451 -1.009645
H 6.327174 -0.948320 1.156894
H 5.856052 -1.251314 -0.539868
H 7.667618 -2.126522 -1.668382
H 8.387173 -2.550099 -0.073686
H 9.334393 -1.612293 -1.280340
H 8.816838 -0.491965 1.572352
H 9.727956 0.244761 0.204751
H 8.367868 1.131150 0.941691


