%chk=000045954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045954

0 1
 O   -2.122900      -1.534300     -0.9357000    
 O   0.3280000     -0.7432000      -1.449400    
 O   -5.773100     -0.1772000      0.2277000    
 O   -4.560300      -1.728500     -0.7428000    
 N    1.290800      0.3678000      0.3793000    
 N   -4.665900     -0.6301000     -0.1477000    
 C    2.671900      9.5200002E-02  0.2212000    
 C    3.214200      -1.033800      0.8152000    
 C    3.455100      0.9623000     -0.5246000    
 C   -1.095700      0.4193000     -2.3399999E-02
 C    4.574100      -1.302700      0.6592000    
 C    4.815000      0.6935000     -0.6802000    
 C   0.2237000     -4.5699999E-02 -0.4287000    
 C    5.374700     -0.4391000     -8.8699996E-02
 C    2.383000      -1.978000       1.621900    
 C    2.885800       2.183200      -1.171200    
 C   -2.237100     -0.3379000     -0.2875000    
 C   -1.207700       1.642400      0.6380000    
 C   -3.490300      0.1278000      0.1101000    
 C   -2.461100       2.108400       1.035500    
 C   -3.602200       1.350700      0.7717000    
 H    1.066300      0.7609000       1.290600    
 H    5.026500      -2.180800       1.112600    
 H    5.453200       1.355100      -1.260100    
 H    6.433400     -0.6486000     -0.2105000    
 H    1.630700      -2.460500      0.9894000    
 H    2.988900      -2.770700       2.074300    
 H    1.882800      -1.448700       2.439700    
 H    2.383800       2.813600     -0.4295000    
 H    3.662800       2.796000      -1.641200    
 H    2.170500       1.903200      -1.951400    
 H  -0.3482000       2.276900      0.8359000    
 H   -2.549000       3.063900       1.544200    
 H   -4.560400       1.748400       1.096300    
 H   -1.192500      -1.793200      -1.025500    


%chk=000045954-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045954

0 1
O -2.028955 -0.606628 -1.807759
O 0.432212 -0.405942 -1.467474
O -5.807760 0.600505 -0.749964
O -4.689564 -1.212824 -1.569044
N 1.335104 0.283194 0.564280
N -4.742076 -0.128724 -0.880427
C 2.719989 0.016712 0.255694
C 3.424685 -0.864471 1.128992
C 3.360402 0.661841 -0.841148
C -1.101115 0.445475 0.198808
C 4.793979 -1.108388 0.877019
C 4.731386 0.375829 -1.062122
C 0.265997 0.091390 -0.283217
C 5.445048 -0.499223 -0.217900
C 2.719816 -1.540147 2.292875
C 2.634665 1.637100 -1.743323
C -2.219168 0.015561 -0.614654
C -1.341686 1.184648 1.383698
C -3.537017 0.313075 -0.143563
C -2.649926 1.491047 1.805440
C -3.746765 1.052882 1.036112
H 1.120256 0.473570 1.545306
H 5.345577 -1.788705 1.535683
H 5.240621 0.859572 -1.903347
H 6.504643 -0.701625 -0.407692
H 1.808216 -2.072126 1.963301
H 3.384483 -2.274784 2.776178
H 2.415077 -0.818386 3.078582
H 1.987459 2.324479 -1.167443
H 3.351023 2.243085 -2.322740
H 1.978277 1.096007 -2.449084
H -0.502352 1.566270 1.977293
H -2.815786 2.071372 2.716966
H -4.776225 1.282795 1.324500
H -0.991719 -0.648835 -1.965129


