%chk=000179809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179809

0 1
O 1.104880 -0.204701 -1.172646
O 2.542639 0.331932 0.443989
O 3.095244 0.480694 -1.671823
N 2.365333 0.241504 -0.748070
C -2.326713 0.217120 -0.249279
C -1.171447 -0.537859 -0.940150
C 0.117057 -0.576733 -0.118754
C -2.716538 -0.445766 1.076416
C -1.992384 1.698503 -0.046551
C 0.493547 -1.941499 0.422920
H -3.209365 0.154592 -0.938994
H -0.955531 -0.058325 -1.923664
H -1.497990 -1.564477 -1.195823
H 0.156509 0.209604 0.668053
H -1.916994 -0.379673 1.821979
H -2.955381 -1.505914 0.941117
H -3.600158 0.035074 1.512228
H -1.711679 2.180202 -0.990060
H -2.850930 2.246442 0.358044
H -1.160940 1.842954 0.652604
H 0.691458 -2.661297 -0.382459
H 1.397716 -1.893507 1.046468
H -0.309931 -2.356871 1.044855


%chk=000179809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179809

0 1
O 1.185780 -0.258722 -1.257765
O 2.574627 0.379672 0.572000
O 3.362700 0.433597 -1.580628
N 2.497315 0.225422 -0.689718
C -2.348245 0.205231 -0.235650
C -1.189503 -0.513704 -0.989943
C 0.144072 -0.588247 -0.206051
C -2.685635 -0.461323 1.120043
C -2.078869 1.719680 -0.062906
C 0.457139 -1.958294 0.407506
H -3.239240 0.099889 -0.889561
H -1.001694 0.025217 -1.938252
H -1.503158 -1.540123 -1.261053
H 0.205068 0.207576 0.558509
H -1.855014 -0.352996 1.843673
H -2.896587 -1.540724 1.000460
H -3.577487 0.009195 1.573114
H -1.882050 2.205525 -1.036305
H -2.949008 2.220792 0.399443
H -1.206318 1.908850 0.590841
H 0.499988 -2.730557 -0.380492
H 1.415027 -1.947994 0.954339
H -0.340504 -2.235964 1.118795


