%chk=000003187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003187

0 1
 O   0.9176000      0.9923000      0.3010000    
 O   -3.696200       3.195300      0.3426000    
 O   -2.342700       1.357300       1.701000    
 O   -5.099200     -0.5933000     -0.6187000    
 O   -5.891200       1.298300      0.3559000    
 N   -1.578400      0.2946000     -0.2172000    
 N    1.378000     -0.9602000       1.470800    
 N    5.494600      0.1409000     -0.2749000    
 N    5.301400       2.147900      -1.580500    
 N    7.155100       1.757400     -0.3133000    
 C  -0.6708000      -1.994600     -0.4030000    
 C  -0.7949000     -0.7190000      0.4400000    
 C   -2.012600      -2.661100     -0.7693000    
 C   0.5848000     -0.1220000      0.6995000    
 C   -2.760500      -3.051700      0.5085000    
 C   -1.828300      -3.893700      -1.655400    
 C    2.712600     -0.6124000       1.902500    
 C    3.763600      -1.593100       1.391300    
 C   -2.296100       1.260400      0.4766000    
 C    3.825200      -1.642400     -0.1401000    
 C   -3.055000       2.204600     -0.4475000    
 C    4.179500     -0.2907000     -0.7513000    
 C   -4.093600       1.452600      -1.283700    
 C   -5.121500      0.7514000     -0.4215000    
 C    5.928700       1.281300     -0.7134000    
 H  -0.1396000      -1.754800      -1.334900    
 H  -4.3000001E-02  -2.732200      0.1123000    
 H   -1.239200     -0.9359000       1.418200    
 H   -2.629400      -1.946700      -1.327600    
 H   -1.524400      0.3545000      -1.230000    
 H   -3.675400      -3.603700      0.2658000    
 H   -2.145800      -3.689400       1.153000    
 H   -3.066300      -2.172700       1.083500    
 H   -1.311300      -3.627200      -2.583200    
 H   -2.795700      -4.330800      -1.924200    
 H   -1.236500      -4.662600      -1.147100    
 H    2.697700     -0.6526000       2.997600    
 H    2.950900      0.4201000       1.630900    
 H   0.9915000      -1.833700       1.815300    
 H    3.528900      -2.600200       1.758100    
 H    4.742500      -1.328500       1.806800    
 H    4.581900      -2.381600     -0.4309000    
 H    2.871000      -1.991600     -0.5508000    
 H   -2.336500       2.709800      -1.101400    
 H    3.412600      0.4554000     -0.5250000    
 H    4.206200     -0.4147000      -1.841300    
 H   -4.648800       2.152700      -1.919200    
 H   -3.618400      0.7258000      -1.951600    
 H   -4.329000       2.756700      0.9358000    
 H   -5.762400      -1.055700     -6.3199997E-02
 H    5.740100       3.020100      -1.855700    
 H    4.389000       1.951800      -1.976400    
 H    7.512300       2.647000     -0.6438000    
 H    7.737900       1.229800      0.3275000    


%chk=000003187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003187

0 1
O 0.832384 0.656604 -0.249965
O -2.872504 2.038214 -1.762269
O -3.749156 -0.845273 0.347439
O -5.598585 2.729853 1.549125
O -3.439704 3.027732 0.774414
N -1.745124 -0.162862 -0.653972
N 1.030920 -0.746301 1.608596
N 5.369490 0.480493 0.202346
N 5.384395 2.197530 -1.514218
N 7.111068 2.058407 0.073808
C -0.453820 -2.317344 -0.811323
C -0.864857 -1.091645 0.062448
C -1.623662 -3.252448 -1.214015
C 0.404114 -0.305972 0.466316
C -2.271530 -3.937368 0.013064
C -1.117694 -4.304732 -2.230151
C 2.308132 -0.193764 2.106272
C 3.523542 -1.123895 1.876280
C -3.092798 -0.081522 -0.434640
C 3.822951 -1.435290 0.392956
C -3.803232 1.017865 -1.273871
C 4.203308 -0.180799 -0.424437
C -5.007101 1.601241 -0.498845
C -4.575816 2.500674 0.639197
C 5.896686 1.524487 -0.394042
H 0.046888 -1.931610 -1.721822
H 0.302591 -2.909876 -0.254509
H -1.416456 -1.442038 0.954966
H -2.398966 -2.634673 -1.711276
H -1.298998 0.563646 -1.231350
H -3.048174 -4.655133 -0.310138
H -1.514869 -4.501949 0.593828
H -2.761840 -3.200121 0.672667
H -0.678551 -3.826837 -3.126189
H -1.943820 -4.959720 -2.563391
H -0.341015 -4.949678 -1.774431
H 2.199024 0.017020 3.187490
H 2.455124 0.770045 1.591630
H 0.610085 -1.523648 2.122293
H 3.376682 -2.069807 2.437561
H 4.412494 -0.620030 2.301192
H 4.666491 -2.150654 0.350406
H 2.948992 -1.924998 -0.082922
H -4.190587 0.528887 -2.186262
H 3.314105 0.487878 -0.474866
H 4.424914 -0.493159 -1.472271
H -5.639784 2.197855 -1.182864
H -5.621747 0.779615 -0.095056
H -2.655475 2.626341 -0.981393
H -5.279559 3.343806 2.266254
H 5.990348 2.756959 -2.109265
H 4.455626 1.963070 -1.852815
H 7.252371 3.067771 0.048197
H 7.523599 1.546354 0.852223


