%chk=000239052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239052

0 1
O 1.120741 1.796003 -1.284524
O 3.567171 1.075317 0.115968
O 4.480939 -1.148650 1.393174
N 1.353558 0.492765 0.602536
N 3.119314 -0.978489 1.185890
C -0.770787 1.710795 0.251380
C -1.455650 2.697601 -0.719939
C -1.588171 0.452741 0.428281
C 0.635908 1.383247 -0.261822
C -2.722982 3.293535 -0.120628
C -1.742495 -0.451670 -0.634007
C -2.201756 0.188071 1.661173
C -2.502256 -1.610642 -0.460270
C -2.961797 -0.973389 1.828659
C -3.112147 -1.874846 0.770832
C 2.770547 0.281048 0.544892
C 5.285641 -1.336190 0.190201
H -0.650500 2.233145 1.239335
H -1.686173 2.185785 -1.676062
H -0.739529 3.504576 -0.985535
H -3.219920 3.958307 -0.838112
H -3.445291 2.514469 0.155608
H -2.514697 3.884286 0.778475
H -1.274669 -0.247630 -1.597232
H -2.098008 0.887952 2.488619
H 0.829596 0.001037 1.338098
H -2.622016 -2.309178 -1.287802
H -3.439161 -1.174220 2.787174
H -3.704505 -2.778456 0.903361
H 2.712468 -1.824218 0.775595
H 5.262401 -0.432423 -0.430975
H 4.979063 -2.224988 -0.360097
H 6.282164 -1.467992 0.630957


%chk=000239052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000239052

0 1
O 1.406202 2.444842 -0.686032
O 3.578972 1.090533 0.968742
O 4.186283 -1.694147 1.034987
N 1.287690 0.496632 0.609396
N 2.946808 -1.130419 0.589907
C -0.788783 1.831923 0.281623
C -1.429036 2.699259 -0.837581
C -1.539267 0.524802 0.536335
C 0.732353 1.636474 -0.002437
C -2.831755 3.216537 -0.461871
C -1.698318 -0.436537 -0.500264
C -2.097380 0.240076 1.809389
C -2.395240 -1.642128 -0.268569
C -2.797412 -0.966487 2.045272
C -2.948132 -1.912670 1.006557
C 2.697115 0.230636 0.743648
C 5.273522 -1.399994 0.054970
H -0.817851 2.429867 1.218501
H -1.481815 2.109745 -1.773322
H -0.744866 3.541760 -1.042044
H -3.251353 3.833070 -1.277160
H -3.534978 2.385880 -0.268784
H -2.792921 3.845794 0.447850
H -1.277823 -0.235809 -1.493330
H -1.989494 0.972445 2.619009
H 0.626649 -0.159750 1.038092
H -2.511443 -2.369245 -1.080264
H -3.224680 -1.163955 3.034661
H -3.491773 -2.846811 1.185382
H 2.241890 -1.827678 0.339114
H 5.435010 -0.311586 -0.004204
H 5.025571 -1.819746 -0.937266
H 6.153255 -1.905611 0.482894


