%chk=000213098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213098

0 1
O -0.344842 -2.618263 0.658018
O -2.980872 0.535893 0.590485
O 1.529543 -2.680450 -0.676746
O -2.749650 1.501818 -1.484544
N -0.179156 -4.246553 -0.889587
N -3.883460 2.572069 0.244531
C -0.652653 -0.184769 0.514489
C 0.095096 0.256584 -0.757187
C 0.061465 -1.336447 1.234152
C -2.106006 -0.569652 0.202596
C 1.362860 0.995914 -0.427851
C 1.317041 2.355474 -0.081775
C 2.598106 0.331226 -0.465256
C 2.495913 3.039640 0.225573
C 3.773421 1.020490 -0.157680
C 3.725745 2.374588 0.189686
C 0.460148 -3.142754 -0.339808
C -3.172058 1.536476 -0.347888
H -0.676779 0.686785 1.226455
H 0.315349 -0.623933 -1.397619
H -0.571798 0.902279 -1.377627
H 1.163845 -1.240147 1.192648
H -0.277024 -1.459752 2.279365
H -2.490446 -1.379458 0.851486
H -2.276424 -0.819822 -0.859143
H 0.363730 2.879670 -0.061379
H 2.638193 -0.728063 -0.739011
H 2.456350 4.094429 0.490482
H 4.729299 0.500543 -0.191135
H 4.641988 2.909300 0.427436
H 0.355744 -4.870828 -1.477115
H -1.002500 -4.630192 -0.451517
H -4.291956 3.279189 -0.349856
H -4.298013 2.449015 1.155723


%chk=000213098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213098

0 1
O -0.401963 -2.607438 0.375512
O -2.758335 0.983971 0.613840
O 1.746531 -2.864174 -0.582529
O -3.811562 0.415127 -1.430387
N -0.070052 -4.219604 -1.184224
N -4.107637 2.502110 -0.397987
C -0.588431 -0.163316 0.796262
C 0.027750 0.418427 -0.513493
C 0.069790 -1.484807 1.236140
C -2.113259 -0.351786 0.679688
C 1.384991 1.076007 -0.294498
C 1.453905 2.427263 0.138247
C 2.597760 0.363861 -0.489102
C 2.698074 3.054593 0.370530
C 3.844288 0.990608 -0.257360
C 3.900861 2.336161 0.172500
C 0.540969 -3.205959 -0.482288
C -3.589404 1.229508 -0.500836
H -0.402869 0.562924 1.614936
H 0.099162 -0.387581 -1.267234
H -0.680798 1.168545 -0.910737
H 1.170484 -1.425766 1.178117
H -0.239690 -1.766285 2.258013
H -2.521701 -0.848504 1.578175
H -2.391151 -0.928253 -0.218784
H 0.523384 2.991603 0.283724
H 2.563059 -0.682873 -0.813527
H 2.731548 4.100434 0.697801
H 4.770847 0.426439 -0.414838
H 4.868286 2.820807 0.347442
H 0.479416 -4.746928 -1.856504
H -1.057745 -4.419920 -1.046752
H -4.729324 2.835420 -1.128793
H -3.876983 3.089684 0.399346


