%chk=000019972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019972

0 1
 O   -1.547400      -1.716900       1.923800    
 O   -2.901600       1.274400      0.1441000    
 O    2.767200      -2.441600     -0.5507000    
 O    1.301200       2.452700       1.030800    
 O    3.901500       2.132700      0.3475000    
 O   -3.285000       2.836400      -1.503100    
 N   -2.127900      -1.451000      -1.786500    
 N   8.9999998E-04  -1.853900      0.1298000    
 N   -5.008500       2.007800     -0.2264000    
 C   -2.285900      -1.590400     -0.3413000    
 C   -1.222000      -1.192400      0.6354000    
 C   -1.729300      -2.705100      -1.171500    
 C  -0.2851000      -2.923200     -0.8188000    
 C  -0.8105000      0.3075000      0.7764000    
 C    1.058400     -0.9758000      0.1362000    
 C   0.6813000      0.2452000      0.5160000    
 C   -1.517800       1.284800     -0.1565000    
 C    2.440600      -1.304500     -0.2276000    
 C    1.640100       1.344100      0.6316000    
 C   -2.623900      -1.004800       2.512300    
 C    3.433500     -0.1778000     -0.1696000    
 C    3.051500       1.050200      0.2418000    
 C    4.822700     -0.5629000     -0.6017000    
 C   -3.693200       2.104100     -0.6078000    
 C    3.939400       2.860400     -0.8644000    
 H   -3.300200      -1.674800      1.3700000E-02
 H   -2.315400      -3.583700      -1.383900    
 H   -1.302700     -0.9014000      -2.019400    
 H  -0.1483000      -3.895400     -0.3355000    
 H   0.3449000      -2.871100      -1.712800    
 H  -0.9293000      0.6692000       1.802500    
 H   -1.346300       1.051900      -1.212000    
 H   -1.136400       2.298600      1.6500000E-02
 H   -3.371600     -0.6255000       1.813700    
 H   -2.249000     -0.1901000       3.138300    
 H   -3.136300      -1.696900       3.188700    
 H    5.527200      0.2696000     -0.5109000    
 H    4.821600     -0.8852000      -1.648100    
 H    5.204400      -1.381000      1.7999999E-02
 H    4.622800       3.704700     -0.7329000    
 H    2.953500       3.263600      -1.120800    
 H    4.318000       2.247800      -1.689900    
 H   -5.297200       1.385500      0.5210000    
 H   -5.732100       2.554900     -0.6805000    


%chk=000019972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019972

0 1
O -1.514105 -1.563667 1.935505
O -2.920023 1.425962 0.119166
O 2.694916 -2.661656 -0.713281
O 1.393236 2.606051 0.377495
O 4.135039 1.855962 -0.310696
O -3.441127 2.840632 -1.695785
N -1.934896 -1.760856 -1.890068
N 0.005705 -1.861949 0.158697
N -5.033321 2.257436 -0.070342
C -2.272494 -1.644614 -0.415314
C -1.214020 -1.105099 0.562926
C -1.733099 -2.955235 -0.980141
C -0.319513 -3.184797 -0.416714
C -0.766699 0.408532 0.549981
C 1.065533 -1.011867 -0.036923
C 0.717724 0.312357 0.205562
C -1.528769 1.338561 -0.402672
C 2.446156 -1.433306 -0.447145
C 1.683233 1.373363 0.148770
C -2.790393 -1.084212 2.491741
C 3.452747 -0.370391 -0.519755
C 3.101929 0.947216 -0.225381
C 4.864563 -0.738084 -0.911773
C -3.782761 2.239529 -0.650419
C 4.000869 3.310896 -0.051552
H -3.326390 -1.468496 -0.198094
H -2.367012 -3.820833 -1.183468
H -1.032309 -1.305332 -2.135444
H -0.342170 -3.956669 0.373881
H 0.437659 -3.468047 -1.165294
H -0.891070 0.801600 1.576632
H -1.559993 0.964986 -1.440786
H -1.072355 2.342444 -0.395448
H -3.648941 -1.653894 2.085665
H -2.942550 -0.005051 2.298038
H -2.716878 -1.265131 3.575456
H 5.194670 -0.164769 -1.797005
H 4.920213 -1.815252 -1.133943
H 5.576390 -0.500431 -0.099976
H 5.023457 3.688505 -0.205642
H 3.654253 3.496214 0.976730
H 3.291245 3.771042 -0.756017
H -5.216881 1.753019 0.792967
H -5.763970 2.806028 -0.514634


