%chk=000207684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207684

0 1
O -0.492056 1.274867 0.170055
O -0.029899 -2.461445 -1.125534
N -1.364227 -1.248177 0.267899
N 4.681265 -0.848435 0.112678
C -2.554437 -2.120805 0.054739
C 0.964897 -0.540981 -0.119901
C -0.167539 -1.486826 -0.395512
C -3.641262 -1.339727 -0.694380
C -3.057991 -2.618345 1.414260
C 0.817847 0.837974 0.144498
C 2.252950 -1.079108 -0.166960
C 3.382027 -0.264365 0.053849
C 1.930955 1.660538 0.362744
C 3.210647 1.108662 0.318823
C -0.745751 2.705752 0.330231
C -2.228805 2.811056 0.148260
C -2.907829 3.932646 0.369509
H -2.229243 -3.000539 -0.571060
H -1.501721 -0.401549 0.819313
H -3.265640 -0.965579 -1.655348
H -4.504111 -1.980020 -0.908479
H -4.004663 -0.479409 -0.124030
H -2.269501 -3.158240 1.954100
H -3.900656 -3.307195 1.289485
H -3.394742 -1.800928 2.060089
H 2.368505 -2.146067 -0.384894
H 1.816902 2.720326 0.570518
H 4.076551 1.743746 0.500053
H -0.408653 3.004630 1.339220
H -0.189109 3.258659 -0.449416
H 5.437289 -0.221473 -0.130254
H 4.772210 -1.724272 -0.388121
H -2.703771 1.884252 -0.191460
H -3.977759 4.009634 0.228149
H -2.461784 4.858343 0.704073


%chk=000207684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207684

0 1
O -0.541610 1.321390 0.353938
O 0.123992 -2.845519 -0.305786
N -1.430490 -1.202752 0.222142
N 4.676760 -0.764772 -0.437320
C -2.569078 -2.144354 0.232359
C 0.949599 -0.572710 -0.035826
C -0.148263 -1.621039 -0.056292
C -3.083596 -2.408822 -1.204182
C -3.675499 -1.595533 1.155184
C 0.780653 0.832652 0.160881
C 2.256484 -1.070801 -0.232772
C 3.399881 -0.230937 -0.238276
C 1.910157 1.682313 0.162402
C 3.205469 1.162409 -0.033523
C -0.737138 2.781487 0.468448
C -2.220491 3.039107 0.484549
C -2.857464 3.726979 1.463355
H -2.183505 -3.100134 0.634592
H -1.582311 -0.199858 0.389817
H -2.261193 -2.789026 -1.833454
H -3.891794 -3.163745 -1.193503
H -3.479523 -1.480448 -1.657123
H -3.300555 -1.450742 2.184163
H -4.526109 -2.298948 1.190795
H -4.057976 -0.624314 0.784324
H 2.340449 -2.153539 -0.385466
H 1.800756 2.758810 0.322148
H 4.065713 1.842659 -0.026708
H -0.253080 3.156502 1.392095
H -0.265497 3.270716 -0.410310
H 5.498445 -0.169015 -0.439929
H 4.802082 -1.762021 -0.580219
H -2.779345 2.652890 -0.378915
H -3.933773 3.924726 1.416889
H -2.321255 4.113990 2.338721


