%chk=000229710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229710

0 1
O 1.059522 0.492284 -1.084828
O 0.999981 0.600657 1.229927
O 3.189666 -2.003368 -0.800278
O 3.257400 -1.858762 1.354491
N 3.187255 -1.374747 0.240327
C 3.177341 0.168769 0.146972
C 2.485014 0.614655 -1.159627
C 2.417262 0.746091 1.366245
C 4.655327 0.617511 0.189103
C 0.458229 1.181241 0.027087
C -1.000069 0.821317 0.009918
C 5.464010 0.195455 -1.030621
C -3.723786 0.152461 -0.019040
C -1.968750 1.831449 0.089253
C -1.391486 -0.521595 -0.082280
C -5.202437 -0.189419 -0.032798
C -3.323229 1.495918 0.074586
C -2.747716 -0.852014 -0.097730
C -5.561718 -1.057629 1.179249
C -5.579931 -0.879777 -1.349204
H 2.752735 1.656325 -1.408861
H 2.727033 -0.058907 -2.012059
H 2.620565 0.171140 2.297556
H 2.664968 1.811316 1.517944
H 5.132588 0.218258 1.111448
H 4.693718 1.721884 0.293620
H 0.697580 2.260572 -0.017506
H 5.357343 -0.876267 -1.256046
H 5.172177 0.742276 -1.934904
H 6.534888 0.380630 -0.873807
H -1.672157 2.876216 0.164019
H -0.625685 -1.298432 -0.143954
H -5.795856 0.759624 0.038229
H -4.071314 2.283996 0.137156
H -3.046819 -1.896572 -0.170101
H -5.061565 -2.032206 1.147409
H -6.639696 -1.245154 1.225793
H -5.266197 -0.572034 2.116631
H -5.297936 -0.267327 -2.213497
H -6.658655 -1.060356 -1.405655
H -5.080299 -1.848680 -1.461169


%chk=000229710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229710

0 1
O 1.089978 0.438674 -1.134824
O 1.042929 0.397441 1.269323
O 3.135836 -1.989601 -0.985035
O 3.579626 -1.916671 1.243418
N 3.300146 -1.358110 0.118603
C 3.254938 0.205554 0.106312
C 2.536460 0.697604 -1.168167
C 2.478511 0.680419 1.360405
C 4.735137 0.680738 0.184773
C 0.465324 1.017190 0.062265
C -1.008159 0.723906 0.027819
C 5.636262 0.236011 -0.987453
C -3.802189 0.144017 -0.025839
C -1.954225 1.770917 0.057824
C -1.458413 -0.618201 -0.030687
C -5.302203 -0.161785 -0.049696
C -3.337113 1.481018 0.030832
C -2.837434 -0.899880 -0.056218
C -5.738088 -0.963930 1.206139
C -5.714489 -0.904484 -1.348975
H 2.729447 1.789931 -1.259775
H 2.899895 0.177779 -2.064550
H 2.834629 0.156850 2.259629
H 2.649660 1.775025 1.466783
H 5.156399 0.316910 1.141275
H 4.717725 1.786834 0.240217
H 0.685833 2.112522 0.090224
H 5.677511 -0.863308 -1.081015
H 5.293304 0.646079 -1.953986
H 6.666623 0.596288 -0.820707
H -1.615949 2.813819 0.102604
H -0.721754 -1.427238 -0.057270
H -5.840575 0.807516 -0.032378
H -4.064448 2.301761 0.054498
H -3.169436 -1.943937 -0.100644
H -5.243951 -1.952839 1.236033
H -6.831145 -1.132274 1.199149
H -5.474618 -0.426934 2.135025
H -5.432076 -0.326282 -2.247051
H -6.807816 -1.069745 -1.370691
H -5.222791 -1.892785 -1.415193


