%chk=000027646.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027646

0 1
 O    1.026800      -1.579800      -1.652800    
 O  -0.1558000       2.007200      0.4048000    
 O   -2.422100      -2.313800       1.856000    
 O   -3.170100       1.117800      -2.179500    
 O   0.1964000       4.274500      0.2181000    
 N    2.833900     -0.9972000      0.5859000    
 N  -0.1704000      -1.212400      0.3814000    
 N   -5.401600      0.2638000     -0.8991000    
 N  -6.6000000E-03   3.269300       2.276100    
 C    1.851700     -7.1500003E-02  2.0199999E-02
 C    1.778600     -0.5002000       1.450500    
 C   0.6426000     -0.5939000     -0.6949000    
 C   0.5232000      -1.293600       1.663100    
 C  -0.3589000      0.4105000      -1.360700    
 C    4.086800     -0.3134000      0.8605000    
 C   -1.504200     -0.9433000      0.1799000    
 C   -1.686500     -7.2700001E-02 -0.8106000    
 C  -0.1420000       1.880000      -1.004800    
 C    5.183000     -0.8175000     -7.6700002E-02
 C   -2.612900      -1.510800      0.9493000    
 C   -3.021900      0.3499000      -1.234000    
 C    1.657800     -0.9879000      -2.777500    
 C   -3.990800      -1.062600      0.5562000    
 C    6.505900     -9.5200002E-02  0.1811000    
 C   -4.190100     -0.1981000     -0.4631000    
 C   -5.090400      -1.664400       1.390800    
 C    7.611000     -0.6163000     -0.7237000    
 C   2.6400000E-02   3.271800      0.9035000    
 H    2.191700      0.9101000     -0.2643000    
 H    2.008700      0.2048000       2.236300    
 H  -7.1099997E-02 -0.8463000       2.467300    
 H   0.7439000      -2.335200       1.916800    
 H  -0.4042000      0.3219000      -2.448900    
 H    4.392900     -0.5382000       1.891400    
 H    4.028900      0.7819000      0.7936000    
 H  -0.9385000       2.499600      -1.434400    
 H   0.8137000       2.231800      -1.410200    
 H    4.881600     -0.6591000      -1.120100    
 H    5.320600      -1.897700      5.9400000E-02
 H    2.380000      -1.712400      -3.166900    
 H   0.9304000     -0.8132000      -3.575100    
 H    2.203400     -6.7000002E-02  -2.549800    
 H    6.806200     -0.2295000       1.226800    
 H    6.381700      0.9811000      1.4500000E-02
 H   -5.079800      -2.756000       1.299500    
 H   -4.949700      -1.403800       2.445400    
 H   -6.089700      -1.326600       1.107100    
 H    7.356200     -0.4697000      -1.778200    
 H    7.784100      -1.684200     -0.5569000    
 H    8.546900     -8.5299999E-02 -0.5233000    
 H   -5.439200      0.9134000      -1.675100    
 H   -6.262100     -3.3900000E-02 -0.4603000    
 H   0.1119000       4.124000       2.809500    
 H  -0.1489000       2.411500       2.798600    


%chk=000027646-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027646

0 1
O 0.934820 -1.727255 -1.460490
O -0.449792 2.313633 0.203193
O -2.492494 -2.112857 2.145438
O -3.296940 1.114835 -2.282032
O 1.696448 3.294630 0.388334
N 2.780308 -1.040699 0.720979
N -0.273237 -1.191279 0.478713
N -5.421601 0.124444 -1.020483
N 0.086589 3.448987 2.088614
C 1.774349 -0.013282 0.215696
C 1.678411 -0.561544 1.635459
C 0.590271 -0.590091 -0.585197
C 0.463040 -1.497305 1.728174
C -0.384817 0.379072 -1.363892
C 4.128633 -0.469228 1.040817
C -1.590473 -0.916024 0.246379
C -1.748658 -0.083125 -0.863349
C -0.186500 1.898138 -1.200149
C 5.045671 -0.477702 -0.194323
C -2.733759 -1.416841 1.090794
C -3.041215 0.311999 -1.302609
C 1.997159 -1.441454 -2.428331
C -4.067984 -1.061503 0.635621
C 6.478806 0.002876 0.128701
C -4.215824 -0.262004 -0.503798
C -5.264323 -1.569713 1.412176
C 7.399328 -0.004795 -1.110549
C 0.551662 3.051999 0.855528
H 2.122883 1.007304 0.028814
H 1.945302 0.066750 2.493549
H -0.184264 -1.304913 2.597300
H 0.778215 -2.554907 1.744322
H -0.270730 0.174198 -2.445722
H 4.561364 -1.112973 1.831063
H 4.062581 0.569448 1.447094
H -0.938788 2.419436 -1.815648
H 0.830315 2.224662 -1.483110
H 4.612826 0.171761 -0.982351
H 5.082111 -1.506574 -0.603923
H 2.068758 -2.345478 -3.052791
H 1.751345 -0.573550 -3.076845
H 2.960898 -1.265860 -1.919248
H 6.913522 -0.645809 0.916401
H 6.439014 1.027130 0.552724
H -5.903916 -2.236431 0.799168
H -4.912210 -2.148868 2.281018
H -5.900851 -0.743504 1.788798
H 7.006711 0.663068 -1.900211
H 7.478892 -1.021572 -1.538962
H 8.419769 0.335911 -0.856964
H -5.379470 0.738723 -1.841889
H -6.308736 -0.158982 -0.613541
H 0.692944 4.006053 2.683621
H -0.866962 3.233265 2.370618


