%chk=000187536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187536

0 1
O -4.908422 -0.173757 -0.000228
O -3.908644 1.731008 0.000215
N -3.891888 0.509249 -0.000271
C 1.139566 0.232299 0.000121
C -0.173061 -0.377796 0.000040
C 2.312903 -0.576231 0.000233
C -1.348362 0.438358 -0.000069
C 1.257138 1.648871 0.000092
C -0.279621 -1.795424 0.000071
C 3.584542 0.042830 0.000326
C 2.152997 -2.017177 0.000259
C 0.926911 -2.596361 0.000182
C -1.178557 1.877411 -0.000105
C 0.049897 2.448923 -0.000025
C -2.606542 -0.208012 -0.000145
C 2.532188 2.237194 0.000197
C -1.553069 -2.400679 0.000005
C 3.676285 1.443594 0.000320
C -2.693833 -1.618131 -0.000107
C 4.840211 -0.766035 0.000508
H 3.054561 -2.632713 0.000350
H 0.813846 -3.680697 0.000189
H -2.080060 2.505882 -0.000194
H 0.161205 3.535432 -0.000059
H 2.626900 3.324096 0.000179
H -1.636883 -3.487225 0.000037
H 4.657059 1.919125 0.000419
H -3.687178 -2.088287 -0.000168
H 5.746009 -0.143429 -0.000121
H 4.904054 -1.412073 0.888942
H 4.903648 -1.413245 -0.887094


%chk=000187536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187536

0 1
O -5.019907 -0.247259 -0.001454
O -3.996380 1.775440 0.002281
N -3.946133 0.480311 -0.000352
C 1.134932 0.240039 0.000117
C -0.175309 -0.363162 0.000050
C 2.326716 -0.578670 0.000288
C -1.371465 0.466966 -0.000044
C 1.260573 1.673665 -0.000001
C -0.280077 -1.802607 0.000099
C 3.622272 0.036916 0.000358
C 2.172529 -2.014877 0.000386
C 0.919686 -2.601616 0.000288
C -1.198625 1.905647 -0.000175
C 0.064012 2.472760 -0.000189
C -2.636931 -0.216377 -0.000227
C 2.554357 2.257904 0.000064
C -1.564882 -2.413052 -0.000052
C 3.706975 1.450340 0.000245
C -2.722315 -1.632418 -0.000246
C 4.894010 -0.791543 0.000565
H 3.065747 -2.646756 0.000529
H 0.817020 -3.692545 0.000343
H -2.086477 2.534927 -0.000174
H 0.165334 3.564394 -0.000321
H 2.648128 3.349892 -0.000023
H -1.641116 -3.505443 -0.000001
H 4.696203 1.921627 0.000297
H -3.715526 -2.086187 -0.000428
H 5.783607 -0.140677 0.000390
H 4.958422 -1.445081 0.890955
H 4.958420 -1.445559 -0.889472


