%chk=000199009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199009

0 1
O -1.670918 0.173930 0.152393
O -1.162050 2.370484 0.055128
O 3.840893 2.265375 -0.453098
O 2.402792 -2.457505 -0.196604
O 4.585320 -0.579950 -0.475223
N -5.719807 -0.530421 -0.453149
C -3.106065 0.493814 0.296334
C -3.674092 -0.772882 0.937135
C -3.679472 0.733099 -1.100617
C -5.208931 -0.714830 0.946379
C -5.213840 0.751985 -1.048176
C -7.213209 -0.549734 -0.463263
C -0.789387 1.218103 0.035210
C 0.607347 0.712105 -0.104383
C 0.876076 -0.662127 -0.134113
C 1.629389 1.653465 -0.220287
C 2.967167 1.218726 -0.337615
C 2.202206 -1.088178 -0.258854
C 3.267490 -0.160744 -0.335365
C 5.252227 1.975954 -0.631445
C 3.106840 -3.025059 -1.336974
C 5.101458 -1.247123 0.715003
H -3.190445 1.388938 0.947968
H -3.282566 -0.904420 1.961865
H -3.330910 -1.660365 0.362751
H -3.333973 -0.069878 -1.784864
H -3.295795 1.683836 -1.518152
H -5.608251 -1.680442 1.327740
H -5.555859 0.077392 1.644334
H -5.564402 1.653688 -0.501014
H -5.614442 0.825414 -2.083213
H -7.561706 -1.522565 -0.080128
H -7.564609 -0.475200 -1.505353
H -7.694706 0.246756 0.122482
H 0.069128 -1.395258 -0.061066
H 1.412672 2.726060 -0.214770
H 5.656442 2.974251 -0.837102
H 5.401470 1.293088 -1.475471
H 5.660120 1.553183 0.290197
H 2.455171 -2.976292 -2.214030
H 3.265574 -4.059900 -1.014992
H 4.054346 -2.503756 -1.514661
H 6.102046 -1.550921 0.392331
H 4.477222 -2.112954 0.965466
H 5.141637 -0.538244 1.545565


%chk=000199009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199009

0 1
O -1.654109 -0.059331 0.155665
O -1.129920 2.216795 0.172812
O 3.972602 2.217824 -0.137381
O 2.674900 -2.563473 -0.076260
O 4.746580 -0.559046 -0.172177
N -5.854234 -0.381567 -0.479229
C -3.110234 0.280512 0.256552
C -3.809829 -0.957077 0.828034
C -3.675130 0.644561 -1.126907
C -5.335258 -0.718887 0.867746
C -5.203650 0.834740 -1.023491
C -7.326496 -0.284455 -0.501543
C -0.761063 1.015362 0.119110
C 0.656091 0.561071 0.014778
C 1.001717 -0.813012 -0.015493
C 1.663912 1.551551 -0.070291
C 3.022410 1.183190 -0.153388
C 2.354808 -1.185710 -0.104732
C 3.382291 -0.196859 -0.139571
C 4.981397 2.222117 -1.220714
C 3.331440 -3.075811 -1.301983
C 5.233074 -1.201767 1.076560
H -3.204203 1.148748 0.938331
H -3.432653 -1.176929 1.843521
H -3.593840 -1.826843 0.181389
H -3.457537 -0.177610 -1.833109
H -3.204321 1.570736 -1.500496
H -5.843604 -1.635094 1.220574
H -5.565829 0.093794 1.608820
H -5.422030 1.733825 -0.386596
H -5.620339 1.036940 -2.027341
H -7.768315 -1.236532 -0.156663
H -7.672007 -0.103062 -1.535097
H -7.727983 0.537273 0.145308
H 0.231571 -1.585796 0.029440
H 1.392985 2.610986 -0.054233
H 5.628681 3.084722 -1.001860
H 4.484049 2.365254 -2.199407
H 5.564359 1.286443 -1.220540
H 2.648354 -2.977679 -2.166858
H 3.531364 -4.139448 -1.102214
H 4.274081 -2.535406 -1.501534
H 6.287556 -1.451346 0.884511
H 4.650181 -2.114248 1.292996
H 5.157779 -0.488558 1.917260


