%chk=000114893.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114893

0 1
O -3.897270 1.001694 -1.091125
O -3.906971 1.006848 1.070765
N -3.348390 1.102131 -0.007974
C 0.476602 0.976579 0.001275
C 1.624977 0.090833 0.000079
C -0.864365 0.454165 0.000403
C 1.448129 -1.319190 -0.002291
C -1.048472 -1.011498 0.001840
C 0.086400 -1.864950 -0.001158
C 0.715872 2.375463 0.002489
C 2.942856 0.621866 0.000574
C -1.891262 1.409879 -0.002247
C 2.069797 2.892621 0.003900
C 3.134815 2.057125 0.002998
C 2.573808 -2.150669 -0.004612
C -0.365135 3.285018 0.001862
C 4.057255 -0.243291 -0.001507
C -2.317647 -1.634828 0.006921
C -0.080199 -3.268426 -0.001930
C -1.655827 2.803181 -0.001060
C 3.870045 -1.618136 -0.004236
C -2.467560 -3.017344 0.006469
C -1.339659 -3.847733 0.001442
H 2.198348 3.975674 0.005462
H 4.157367 2.436938 0.003848
H 2.449958 -3.236960 -0.006619
H -0.174428 4.358486 0.003080
H 5.063718 0.174021 -0.001088
H -3.243913 -1.068141 0.012398
H 0.803322 -3.912397 -0.004994
H -2.500689 3.498004 -0.002530
H 4.728088 -2.290270 -0.006012
H -3.466690 -3.454175 0.010160
H -1.454282 -4.930917 0.000717


%chk=000114893-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114893

0 1
O -3.389648 0.284360 -1.641181
O -4.264765 1.627145 -0.015203
N -3.266576 1.059428 -0.616068
C 0.486090 0.968748 0.073312
C 1.628325 0.082303 -0.001036
C -0.853148 0.438740 -0.031466
C 1.449008 -1.336225 -0.155768
C -1.045004 -1.020060 0.059132
C 0.090082 -1.895507 -0.060123
C 0.707421 2.391502 0.206078
C 2.962675 0.634761 0.030866
C -1.901053 1.399800 -0.152269
C 2.054429 2.903652 0.293777
C 3.141542 2.057854 0.202979
C 2.598461 -2.149802 -0.330694
C -0.404014 3.278363 0.236186
C 4.085607 -0.222837 -0.123761
C -2.320132 -1.595156 0.346788
C -0.122845 -3.305241 -0.003127
C -1.696355 2.788435 0.034437
C 3.899925 -1.601745 -0.317500
C -2.500955 -2.981929 0.417245
C -1.396273 -3.848142 0.210500
H 2.193033 3.983700 0.414703
H 4.162845 2.452921 0.249153
H 2.492560 -3.227742 -0.477116
H -0.235584 4.352202 0.367493
H 5.093676 0.206443 -0.104119
H -3.179735 -0.958002 0.560471
H 0.725697 -3.987731 -0.096310
H -2.559782 3.456682 -0.020399
H 4.764663 -2.259216 -0.455135
H -3.490617 -3.391924 0.642648
H -1.530956 -4.934179 0.252804


