%chk=000097541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097541

0 1
 O   0.7281000      0.5253000     -0.1643000    
 O    6.939000      -1.711100      0.2660000    
 O    5.361100      -1.879800       1.782900    
 O   -7.338200      -1.055000     -0.3356000    
 O   -5.755500      -2.108900      -1.432700    
 N    5.822100      -1.376200      0.7299000    
 N  -0.5131000      0.9307000      0.3453000    
 N   -6.130700      -1.213300     -0.6381000    
 C    3.068400      0.9487000     -0.1404000    
 C    1.728600       1.364700      0.3919000    
 C    3.812100     -9.8999999E-03  0.5388000    
 C    3.553600       1.524800      -1.309200    
 C    5.057000     -0.3973000      4.2900000E-02
 C   -2.856500      0.3383000      0.1812000    
 C    4.798300       1.137400      -1.805200    
 C    5.549900      0.1763000      -1.129300    
 C   -3.810300     -0.5081000     -0.3840000    
 C   -5.159000     -0.3515000     -6.4000003E-02
 C   -3.251400       1.341300       1.066600    
 C   -5.553600      0.6514000      0.8215000    
 C   -4.599800       1.497900       1.386700    
 C   -1.450200      0.1742000     -0.1510000    
 H    1.713200       1.289100       1.486700    
 H    1.524500       2.411100      0.1314000    
 H    3.404700     -0.4441000       1.448700    
 H    2.975400       2.272500      -1.845000    
 H    5.181600       1.583800      -2.718100    
 H    6.515100     -0.1012000      -1.545400    
 H   -3.481500      -1.284200      -1.071800    
 H   -2.530600       2.015000       1.522300    
 H   -6.594900      0.8030000       1.094200    
 H   -4.907000       2.278900       2.076100    
 H   -1.190400     -0.6350000     -0.8581000    


%chk=000097541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097541

0 1
O 0.757347 0.537081 -0.196879
O 7.047287 -1.759064 0.258215
O 5.437737 -1.855066 1.872083
O -7.476257 -1.047532 -0.348051
O -5.829588 -2.111963 -1.514541
N 5.918611 -1.392220 0.766590
N -0.549156 0.924066 0.327224
N -6.239699 -1.218048 -0.677376
C 3.121936 1.000793 -0.124277
C 1.780712 1.440879 0.413255
C 3.882040 0.031115 0.566570
C 3.624571 1.537659 -1.337392
C 5.120513 -0.374225 0.030184
C -2.893213 0.337743 0.186603
C 4.868380 1.115973 -1.858423
C 5.634615 0.149804 -1.175012
C -3.869580 -0.504907 -0.402035
C -5.222428 -0.329537 -0.051634
C -3.309334 1.335873 1.117247
C -5.649979 0.652069 0.866163
C -4.668981 1.485970 1.448627
C -1.482561 0.150497 -0.185950
H 1.720445 1.342484 1.511569
H 1.539451 2.480454 0.127120
H 3.534084 -0.415360 1.502527
H 3.033748 2.287200 -1.876083
H 5.241274 1.541200 -2.795322
H 6.602302 -0.199161 -1.544244
H -3.602015 -1.286199 -1.119883
H -2.547951 1.980424 1.567257
H -6.713032 0.743028 1.102044
H -4.972435 2.255751 2.165234
H -1.228844 -0.647982 -0.900512


