%chk=000163833.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163833

0 1
 O    4.529100     -0.8895000       2.032600    
 O    3.136200       2.397000      -2.039600    
 O   -2.292000      0.6638000       1.253800    
 O    2.290000     -0.6501000       2.530000    
 O    1.385300       2.813000     -0.5979000    
 N    1.884100     -8.6400002E-02 -0.1780000    
 N   -3.215900     -0.7366000     -0.3876000    
 N   -5.243800     -0.1947000       1.844500    
 N   -4.103200       3.103800      0.5007000    
 C    1.637300      -1.522400     -0.3182000    
 C   0.2815000      -1.814800     -0.8670000    
 C    3.198600      0.1491000      0.4170000    
 C    1.783200      0.5773000      -1.476600    
 C  -0.8329000      -1.138100     -0.3711000    
 C   -2.084800      -1.422000     -0.8912000    
 C   0.1281000      -2.765800      -1.875800    
 C   -4.671900      0.7294000      0.8632000    
 C   -2.254000      -2.363300      -1.892800    
 C   -1.139700      -3.040000      -2.388700    
 C   -3.245400      0.2350000      0.6096000    
 C   -4.714600       2.154500       1.428000    
 C    3.243600     -0.4988000       1.778400    
 C    2.042600       2.052100      -1.295000    
 C    4.741400      -1.527600       3.296200    
 C    3.517000       3.775300      -1.974500    
 H    2.408400      -1.972400     -0.9593000    
 H    1.686500      -2.056600      0.6371000    
 H    3.994700     -0.2622000     -0.2166000    
 H    3.403400       1.210400      0.5933000    
 H    2.494600      0.1562000      -2.199300    
 H   0.7882000      0.5094000      -1.929300    
 H  -0.6592000     -0.4275000      0.4224000    
 H   0.9865000      -3.302100      -2.271500    
 H   -5.256900      0.6853000     -6.3100003E-02
 H   -3.236900      -2.584800      -2.299200    
 H   -4.101900     -0.9983000     -0.8142000    
 H   -1.259200      -3.780700      -3.173900    
 H   -4.187100       2.215200       2.387800    
 H   -5.753600       2.454600       1.606000    
 H   -5.200800      -1.149300       1.489900    
 H   -4.698900     -0.1767000       2.705600    
 H   -4.135700       4.038200      0.9065000    
 H   -3.115800       2.882700      0.3794000    
 H    4.488600     -0.8442000       4.112400    
 H    4.148300      -2.444700       3.361300    
 H    5.800400      -1.788300       3.371700    
 H    2.708100       4.409800      -2.348900    
 H    3.778700       4.047000     -0.9475000    
 H    4.395900       3.915500      -2.609400    


%chk=000163833-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163833

0 1
O 4.668559 -1.516917 2.478191
O 1.287730 2.382467 -1.131585
O -1.292211 1.391818 1.092140
O 2.400633 -1.945973 2.164317
O 3.258113 2.291621 0.118845
N 2.559854 -0.630154 -0.431945
N -2.665448 0.056456 -0.294450
N -3.367285 2.892530 1.926458
N -5.330773 0.720116 -0.490193
C 1.957641 -1.879897 -0.941355
C 0.494656 -1.724499 -1.353015
C 3.752041 -0.788724 0.405670
C 2.684074 0.453941 -1.434915
C -0.362356 -0.863692 -0.627451
C -1.733615 -0.771515 -0.978313
C -0.014169 -2.490518 -2.430012
C -3.737450 1.661335 1.228129
C -2.243292 -1.556155 -2.050764
C -1.383926 -2.408850 -2.768991
C -2.431848 1.021865 0.660255
C -4.792707 1.973784 0.123994
C 3.477394 -1.473968 1.742159
C 2.478268 1.796400 -0.732317
C 4.568208 -2.137632 3.820200
C 0.825702 3.575836 -0.373134
H 2.534981 -2.309325 -1.799218
H 2.005346 -2.614084 -0.115982
H 4.578734 -1.356285 -0.092942
H 4.156992 0.214342 0.634364
H 3.675781 0.457713 -1.946251
H 1.896898 0.328186 -2.192893
H 0.040183 -0.267301 0.193257
H 0.655378 -3.148425 -2.997474
H -4.184305 0.889710 1.907016
H -3.304627 -1.486329 -2.319029
H -3.684429 -0.000977 -0.570278
H -1.780706 -3.004094 -3.599156
H -4.305824 2.572758 -0.665163
H -5.582164 2.607539 0.578783
H -3.962363 3.144855 2.717369
H -2.360468 2.920513 2.132185
H -5.940316 0.194689 0.150303
H -5.811567 0.884784 -1.382384
H 3.845867 -1.583929 4.443205
H 4.240317 -3.187614 3.734630
H 5.583236 -2.071363 4.236145
H 0.113314 3.214808 0.386043
H 1.683586 4.085165 0.095771
H 0.324461 4.221689 -1.109016


