%chk=000111344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111344

0 1
 O   -3.932200      -3.067600      0.7437000    
 O  -0.7698000       5.006500     -0.5479000    
 O   -2.318300       4.359400      0.9816000    
 N   -1.722600      0.3034000     -0.2319000    
 N   -1.533400      -1.975700     -0.3205000    
 C   -1.470200     -0.8590000      0.6493000    
 C  -8.9900002E-02 -0.7692000       1.283000    
 C    1.004800     -0.6370000      0.2245000    
 C    2.388400     -0.5130000      0.8668000    
 C   -2.047100       1.605600      0.2924000    
 C   -1.946300     -0.1411000      -1.523500    
 C   -1.835500      -1.475700      -1.575300    
 C   -1.635600      -3.350100      9.9399999E-02
 C    3.485700     -0.4193000     -0.1957000    
 C    4.899100     -0.3651000      0.3912000    
 C   -1.262600       2.686300     -0.4428000    
 C   -3.062800      -3.841400     -7.3200002E-02
 C    5.998500     -0.3457000     -0.6716000    
 C   -1.530500       4.077900      8.9299999E-02
 C    7.380200     -0.2792000     -3.8800001E-02
 H   -2.261800     -0.9493000       1.402300    
 H  -4.8000000E-02  9.3800001E-02   1.958500    
 H   9.9699996E-02  -1.659700       1.894000    
 H    1.008900      -1.513100     -0.4341000    
 H   0.8418000      0.2443000     -0.4048000    
 H    2.422700      0.3755000       1.508600    
 H    2.574500      -1.383400       1.507500    
 H   -3.124800       1.786000      0.1964000    
 H   -1.821600       1.655800       1.364400    
 H   -2.212900      0.5451000      -2.310600    
 H   -1.981600      -2.138200      -2.413000    
 H  -0.9546000      -3.969900     -0.4944000    
 H   -1.336700      -3.446700       1.149200    
 H    3.318500      0.4711000     -0.8144000    
 H    3.413800      -1.286600     -0.8640000    
 H    4.988100      0.5264000       1.024400    
 H    5.048400      -1.233300       1.045400    
 H  -0.1880000       2.492800     -0.3458000    
 H   -1.518800       2.690200      -1.508100    
 H   -3.137400      -4.887300      0.2416000    
 H   -3.401800      -3.769200      -1.111400    
 H    5.928500      -1.244900      -1.294600    
 H    5.860900      0.5187000      -1.331300    
 H    7.491500      0.6264000      0.5661000    
 H    7.559500      -1.146700      0.6042000    
 H    8.151800     -0.2662000     -0.8149000    
 H   -4.830200      -3.418000      0.6161000    
 H  -0.9350000       5.911000     -0.2060000    


%chk=000111344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111344

0 1
O -3.420748 -2.774063 1.558229
O -2.566690 5.210238 -0.637860
O -2.540620 4.171843 1.437548
N -1.495958 0.442002 -0.502704
N -1.419632 -1.906394 -0.656506
C -1.256685 -0.789539 0.337430
C 0.128724 -0.789624 1.021480
C 1.318982 -0.707016 0.046761
C 2.685114 -0.706383 0.767592
C -2.118687 1.573305 0.210580
C -2.037631 0.005776 -1.758486
C -1.986328 -1.357338 -1.842972
C -1.803168 -3.246598 -0.194814
C 3.885325 -0.632165 -0.203468
C 5.255053 -0.626619 0.512016
C -1.992248 2.873695 -0.603037
C -3.270491 -3.426042 0.243430
C 6.455131 -0.559484 -0.460109
C -2.391534 4.094704 0.198020
C 7.819482 -0.552455 0.263146
H -2.044952 -0.869048 1.125275
H 0.158348 0.064945 1.730124
H 0.205275 -1.705546 1.644573
H 1.262933 -1.560134 -0.658108
H 1.212716 0.210750 -0.564794
H 2.732287 0.151145 1.472131
H 2.776276 -1.622067 1.390103
H -3.191430 1.378178 0.450151
H -1.596418 1.709035 1.174165
H -2.282641 0.717194 -2.545181
H -2.190785 -1.990389 -2.706167
H -1.604601 -3.960805 -1.018502
H -1.152561 -3.538466 0.650147
H 3.793959 0.281356 -0.827865
H 3.840958 -1.491595 -0.904939
H 5.301667 0.235884 1.209846
H 5.345019 -1.538017 1.140172
H -0.938906 2.998729 -0.924276
H -2.596703 2.850077 -1.527054
H -3.499978 -4.511789 0.318680
H -3.942294 -2.964273 -0.511052
H 6.407988 -1.422334 -1.155741
H 6.363856 0.350272 -1.088403
H 7.902859 0.317295 0.942184
H 7.948854 -1.466353 0.873577
H 8.659884 -0.503218 -0.453887
H -4.369874 -2.796681 1.838498
H -2.793827 6.002611 -0.078632


