%chk=000158168.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158168

0 1
 O  -0.6782000     -0.9964000      -2.079500    
 O    1.535400      0.4128000       1.336600    
 O    3.268000       2.388900     -0.7589000    
 O    3.623700      -2.129000      0.8238000    
 N   -2.058300      -1.079000      -1.939400    
 N    1.216600     -0.3618000     -0.8674000    
 C   -3.755700     -0.5901000     -0.1816000    
 C   -3.872200     -0.1797000       1.318900    
 C   -4.583300      0.3588000      -1.105900    
 C   -3.747000       1.319100       1.611200    
 C   -5.909100      0.8828000     -0.5469000    
 C   -4.358700      -2.023800     -0.2624000    
 C   -5.098800       2.030000       1.614000    
 C   -5.749000       2.180400      0.2437000    
 C   -2.292400     -0.6446000     -0.7059000    
 C   -3.578900      -2.981500      0.6060000    
 C   -1.133700     -0.2770000     -1.8700000E-02
 C  -0.1389000     -0.5176000     -0.9292000    
 C    1.965500      8.4799998E-02  0.2363000    
 C    3.438100      0.1298000      3.3599999E-02
 C    4.010900       1.286600     -0.4566000    
 C    4.190000     -0.9867000      0.3416000    
 C    5.392100       1.328700     -0.6465000    
 C    5.571100     -0.9445000      0.1516000    
 C    6.172400      0.2132000     -0.3424000    
 C    3.067000       3.339900      0.2842000    
 C    3.503400      -2.244100       2.239800    
 H   -4.816000     -0.5414000       1.748600    
 H   -3.082700     -0.6777000       1.896600    
 H   -3.964800       1.215600      -1.407500    
 H   -4.801000     -0.1735000      -2.042700    
 H   -3.052000       1.812700      0.9238000    
 H   -3.320400       1.430800       2.616300    
 H   -6.560600       1.106800      -1.401800    
 H   -6.432200      0.1236000      4.3600000E-02
 H   -5.410500      -2.026100      4.8500001E-02
 H   -4.344900      -2.391800      -1.296200    
 H   -5.788700       1.506200       2.287400    
 H   -4.963900       3.032600       2.038700    
 H   -5.178900       2.905500     -0.3506000    
 H   -6.742700       2.622800      0.3882000    
 H   -3.967700      -3.995400      0.4535000    
 H   -2.513200      -3.021500      0.3655000    
 H   -3.691000      -2.775500       1.674100    
 H   -1.026100      0.1072000      0.9840000    
 H    1.719500     -0.6151000      -1.714100    
 H    5.867500       2.226800      -1.031600    
 H    6.185400      -1.810000      0.3852000    
 H    7.247800      0.2458000     -0.4906000    
 H    2.632900       2.871600       1.172300    
 H    4.015100       3.821500      0.5435000    
 H    2.375600       4.105100     -7.9400003E-02
 H    2.917200      -3.140000       2.461600    
 H    4.493700      -2.354400       2.692900    
 H    2.993100      -1.377900       2.670600    


%chk=000158168-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158168

0 1
O -0.604712 -1.984228 -0.959663
O 1.264640 1.159970 1.137264
O 3.363177 2.852560 0.464378
O 3.489690 -1.937346 -0.429683
N -2.080457 -2.050257 -0.815519
N 1.209078 -0.659310 -0.310479
C -3.871268 -0.691091 0.254079
C -4.001052 0.405233 1.358590
C -4.541408 -0.261906 -1.102941
C -3.892657 1.889181 0.911166
C -5.915717 0.449903 -1.000922
C -4.550661 -2.015651 0.747919
C -5.247667 2.504835 0.474453
C -5.807064 1.990221 -0.871722
C -2.396216 -0.968271 -0.055836
C -4.019034 -2.571891 2.086164
C -1.237687 -0.195000 0.315297
C -0.162065 -0.855419 -0.261058
C 1.887820 0.351654 0.385394
C 3.380784 0.403081 0.176154
C 4.069787 1.645894 0.351917
C 4.183544 -0.739582 -0.156185
C 5.481600 1.719823 0.284719
C 5.592703 -0.669817 -0.215456
C 6.236505 0.563877 0.018254
C 3.180730 3.395663 1.826827
C 4.251624 -3.163382 -0.693188
H -4.985207 0.273318 1.852203
H -3.247387 0.198927 2.142468
H -3.848099 0.402878 -1.655428
H -4.629078 -1.178187 -1.718016
H -3.148263 2.003763 0.098493
H -3.508743 2.482818 1.764822
H -6.491380 0.223537 -1.920533
H -6.512046 0.038788 -0.160929
H -5.639991 -1.827039 0.832949
H -4.414172 -2.783274 -0.037051
H -5.990164 2.311053 1.277031
H -5.140745 3.606902 0.409661
H -5.164191 2.360427 -1.697492
H -6.807802 2.441634 -1.030659
H -4.528199 -3.520905 2.336270
H -2.935260 -2.779690 2.025678
H -4.188858 -1.872453 2.924440
H -1.185097 0.702129 0.920081
H 1.787453 -1.382682 -0.764872
H 5.958071 2.697130 0.405954
H 6.187840 -1.555053 -0.452164
H 7.328799 0.620842 -0.035256
H 2.484400 2.749191 2.386667
H 4.154417 3.481591 2.349222
H 2.742079 4.394403 1.682711
H 3.491026 -3.944701 -0.834837
H 4.862020 -3.062376 -1.609832
H 4.895060 -3.417413 0.168896


