%chk=000186607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186607

0 1
O 2.353802 -0.050901 0.476437
O -1.933624 1.532070 -1.255871
O -0.394548 3.230297 0.118093
N 0.728461 1.507926 1.147303
N -1.330701 1.102546 -0.063783
N 0.148872 -2.144173 0.929471
N -2.055819 -1.135181 -0.539598
C 1.138660 0.082194 1.189924
C 0.025867 -0.817572 0.689291
C -1.101448 -0.303109 -0.017988
C -0.285516 2.047251 0.338937
C 2.306063 -0.060607 -0.982443
C -0.807172 -2.963503 0.435004
C 3.754298 0.133082 -1.386516
C -1.899290 -2.459054 -0.314101
H 1.463560 -0.181246 2.236396
H 1.446388 2.176130 1.460501
H 1.904599 -1.041750 -1.291042
H 1.652059 0.752068 -1.338040
H -0.693128 -4.034482 0.638417
H 3.884153 0.031755 -2.470021
H 4.127930 1.121697 -1.088685
H 4.402153 -0.607955 -0.895379
H -2.665644 -3.121676 -0.737841
H -2.922875 1.616892 -1.010965


%chk=000186607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186607

0 1
O 2.422818 -0.049150 0.504211
O -2.167069 1.532394 -1.113754
O -0.502983 3.302981 0.261128
N 0.663686 1.504513 1.220189
N -1.071190 1.080512 -0.299996
N 0.089787 -2.126134 1.056717
N -1.964177 -1.052560 -0.613238
C 1.158859 0.118801 1.244861
C 0.058844 -0.807786 0.760543
C -0.989600 -0.276510 -0.048359
C -0.308733 2.071139 0.378816
C 2.347831 0.163615 -0.962606
C -0.897608 -2.915933 0.518571
C 3.772250 0.019944 -1.495224
C -1.901008 -2.385026 -0.325472
H 1.461382 -0.150647 2.269518
H 1.224295 2.204186 1.711718
H 1.675663 -0.593191 -1.417878
H 1.943298 1.174150 -1.175893
H -0.866690 -3.979563 0.766700
H 3.786996 0.165988 -2.590584
H 4.436030 0.770553 -1.033168
H 4.171133 -0.983222 -1.267910
H -2.667756 -3.023212 -0.773431
H -2.628959 0.646854 -1.307958


