%chk=000029115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029115

0 1
 O    1.232500     -0.7051000      0.5627000    
 O    1.429000      6.5000001E-03  -1.648000    
 N   -4.066900      -1.775700     -0.3480000    
 N   -3.931500       4.063800      8.7800004E-02
 C   -3.647600      0.2847000      0.3634000    
 C   -2.411200     -0.4136000      0.2688000    
 C   -2.702400      -1.703700     -0.1796000    
 C   -3.836400       1.683600      0.7966000    
 C   -4.646800     -0.5791000     -2.1900000E-02
 C   -1.068200     -7.0799999E-02  0.5225000    
 C   -3.771300       2.687500     -0.3692000    
 C   -1.713900      -2.672000     -0.3878000    
 C  -6.8800002E-02  -1.029400      0.3189000    
 C  -0.3889000      -2.309300     -0.1293000    
 C    1.908800     -0.1789000     -0.5396000    
 C    3.316600      0.1491000     -0.1980000    
 C    3.935800       1.192400     -0.8549000    
 C    3.960300     -0.5993000      0.7658000    
 C    5.257800       1.500800     -0.5339000    
 C    5.282100     -0.2907000       1.086800    
 C    5.930900      0.7593000      0.4369000    
 H   -4.805700       1.782500       1.303400    
 H   -3.078200       1.943800       1.546600    
 H   -5.717900     -0.4512000     -9.4700001E-02
 H   -4.567400      -2.594000     -0.6662000    
 H  -0.8079000      0.9248000      0.8716000    
 H   -4.557300       2.462400      -1.099100    
 H   -2.811300       2.593900     -0.8906000    
 H   -1.962100      -3.668800     -0.7366000    
 H   0.3985000      -3.043900     -0.2823000    
 H   -3.187500       4.294600      0.7449000    
 H   -3.821800       4.697300     -0.7029000    
 H    3.421000       1.779100      -1.609800    
 H    3.481300      -1.429500       1.275900    
 H    5.762800       2.318800      -1.039200    
 H    5.807700     -0.8698000       1.840500    
 H    6.960300      0.9991000      0.6865000    


%chk=000029115-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029115

0 1
O 1.184997 -0.361581 -0.026639
O 2.190181 -1.274565 -1.950235
N -4.174978 -1.837413 -0.520665
N -4.041360 3.993007 0.902406
C -3.777239 0.185957 0.483010
C -2.506688 -0.402746 0.088077
C -2.786399 -1.670988 -0.536398
C -3.990989 1.521721 1.149940
C -4.764254 -0.720442 0.093975
C -1.157691 0.015623 0.215131
C -3.802924 2.724195 0.185650
C -1.762411 -2.509094 -1.027838
C -0.149280 -0.825878 -0.281226
C -0.427592 -2.080569 -0.897905
C 2.273502 -0.626604 -0.880797
C 3.528045 -0.029273 -0.335586
C 4.712917 -0.166641 -1.105779
C 3.569309 0.654489 0.907916
C 5.926726 0.376031 -0.638080
C 4.787301 1.193680 1.372749
C 5.966828 1.056876 0.602475
H -5.007607 1.592273 1.577289
H -3.283314 1.637868 1.997763
H -5.844170 -0.651118 0.214392
H -4.677093 -2.643036 -0.885966
H -0.885397 0.963437 0.689048
H -4.545537 2.641542 -0.629395
H -2.795784 2.649204 -0.290568
H -1.983680 -3.471277 -1.502082
H 0.387904 -2.694245 -1.282153
H -3.380679 4.168178 1.666796
H -4.146195 4.811375 0.295328
H 4.657561 -0.698987 -2.061148
H 2.651630 0.751978 1.493825
H 6.838731 0.269502 -1.235239
H 4.819005 1.719391 2.333279
H 6.911020 1.477334 0.966653


