%chk=000114926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114926

0 1
O -3.584102 0.716315 0.307898
N -1.473679 0.455203 -0.433812
N 2.202417 0.740971 0.318670
N 1.663307 -1.589343 -0.067140
N 0.591439 2.432737 0.164723
N -0.530639 -2.312282 -0.470532
C -0.112380 0.101000 -0.200008
C 0.876826 1.088992 0.099881
C 0.332882 -1.254572 -0.266338
C 2.522361 -0.575575 0.220106
C -2.440281 0.392935 0.578683
H -1.722247 0.762232 -1.371832
H 3.579858 -0.847820 0.386600
H 1.314231 3.089169 0.423510
H -0.353367 2.769535 0.107479
H -0.146607 -3.238793 -0.605234
H -1.457822 -2.148538 -0.826836
H -2.092895 0.048333 1.562783


%chk=000114926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114926

0 1
O -3.644278 0.765447 0.354708
N -1.465290 0.430060 -0.449710
N 2.207896 0.744879 0.334864
N 1.683020 -1.607331 -0.070801
N 0.559111 2.403897 0.220346
N -0.491471 -2.304139 -0.591230
C -0.089505 0.081467 -0.208544
C 0.884257 1.072619 0.114270
C 0.361503 -1.269353 -0.288963
C 2.516004 -0.574612 0.225147
C -2.438053 0.467356 0.551939
H -1.778494 0.663598 -1.400718
H 3.565085 -0.837963 0.395813
H 1.301955 3.056145 0.462277
H -0.395912 2.729577 0.097238
H -0.104132 -3.244788 -0.622540
H -1.484268 -2.147886 -0.743391
H -2.018125 0.201525 1.547895


