%chk=000096360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096360

0 1
 O    6.750100       1.047800     -0.3121000    
 O    2.825800      -1.958700     -0.1673000    
 N    4.270200     -0.1818000      0.2158000    
 C  -0.7537000      0.2182000      0.3226000    
 C   -2.044100     -0.5689000      7.9800002E-02
 C   0.5145000     -0.6319000      0.1717000    
 C   -3.310000      0.2786000      0.2433000    
 C    1.825400      0.1338000      0.3246000    
 C   -4.602200     -0.5122000      2.6500000E-02
 C    4.531000       1.192200      0.6581000    
 C    5.475100     -0.9856000      1.0800000E-02
 C    3.012200     -0.7694000      0.1024000    
 C   -5.834100      0.3772000      0.2142000    
 C    5.567400       1.849000     -0.2451000    
 C    6.467700     -0.2388000     -0.8686000    
 C   -7.125800     -0.4028000     -3.9400000E-02
 C   -8.331600      0.4765000      0.1130000    
 C   -9.237800      0.6768000     -0.8502000    
 H  -0.7082000       1.057000     -0.3827000    
 H  -0.7749000      0.6516000       1.330000    
 H   -2.023900     -0.9934000     -0.9315000    
 H   -2.085300      -1.414300      0.7776000    
 H   0.4903000      -1.110100     -0.8166000    
 H   0.4797000      -1.446400      0.9072000    
 H   -3.273700       1.115700     -0.4648000    
 H   -3.319300      0.7155000       1.249700    
 H    1.878700      0.5568000       1.333500    
 H    1.858400      0.9476000     -0.4081000    
 H   -4.602900     -0.9378000     -0.9841000    
 H   -4.642500      -1.351100      0.7316000    
 H    4.917500       1.116700       1.681300    
 H    3.625300       1.799800      0.6858000    
 H    5.231200      -1.957500     -0.4286000    
 H    5.905300      -1.159500       1.004100    
 H   -5.776600       1.229800     -0.4746000    
 H   -5.839300      0.7871000       1.232100    
 H    5.847300       2.828500      0.1549000    
 H    5.175400       1.999600      -1.258100    
 H    6.084900     -0.1153000      -1.888700    
 H    7.409100     -0.7936000     -0.9285000    
 H   -7.097100     -0.8504000      -1.040400    
 H   -7.204400      -1.228700      0.6776000    
 H   -8.477700      0.9631000       1.073900    
 H   -10.09370       1.319200     -0.6740000    
 H   -9.144200      0.2090000      -1.824000    


%chk=000096360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096360

0 1
O 6.824286 1.080414 -0.380966
O 2.995104 -2.003485 -0.191068
N 4.328967 -0.173911 0.319044
C -0.723703 0.209707 0.262771
C -2.040144 -0.559550 0.011315
C 0.530270 -0.667807 0.057452
C -3.305772 0.298068 0.234734
C 1.838902 0.114810 0.282969
C -4.618219 -0.471837 -0.034597
C 4.575992 1.238256 0.672781
C 5.563888 -0.982709 0.203093
C 3.084045 -0.772351 0.116230
C -5.885142 0.381840 0.195413
C 5.578725 1.859023 -0.326342
C 6.536294 -0.312028 -0.782992
C -7.197465 -0.398317 -0.086385
C -8.439790 0.421599 0.191051
C -9.416911 0.702195 -0.708040
H -0.681336 1.088814 -0.415248
H -0.730059 0.614708 1.297219
H -2.040737 -0.950975 -1.027370
H -2.076484 -1.447665 0.676207
H 0.533062 -1.093193 -0.963730
H 0.503763 -1.535698 0.742652
H -3.264966 1.192339 -0.422108
H -3.311668 0.679001 1.277719
H 1.836868 0.561620 1.298997
H 1.889044 0.965321 -0.428232
H -4.614081 -0.847920 -1.079068
H -4.657222 -1.369588 0.617776
H 5.007330 1.291159 1.693894
H 3.636415 1.812229 0.665238
H 5.272647 -1.990942 -0.136285
H 6.043428 -1.062476 1.199705
H -5.853511 1.281204 -0.451847
H -5.896142 0.750233 1.242497
H 5.877670 2.871707 -0.008404
H 5.117299 1.906870 -1.337406
H 6.104595 -0.323514 -1.806837
H 7.513765 -0.820990 -0.787713
H -7.204647 -0.747995 -1.137321
H -7.205532 -1.307368 0.552888
H -8.529466 0.818504 1.215748
H -10.290435 1.307868 -0.440709
H -9.369425 0.331727 -1.740022


